Press Release
Recursion has predicted the protein target(s) for approximately 36 billion chemical compounds in the Enamine REAL Space, reported to be the world’s largest searchable chemical library. These advances were made possible by NVIDIA DGX Cloud supercomputing and the recent acquisition of Cyclica’s MatchMaker technology.
SALT LAKE CITY, Aug. 08, 2023 (GLOBE NEWSWIRE) -- Recursion (NASDAQ: RXRX), a leading clinical stage TechBio company decoding biology to industrialize drug discovery, today announced it has successfully screened the Enamine REAL Space chemical library using its MatchMaker technology, recently acquired from Cyclica, to predict the protein target(s) for approximately 36 billion chemical compounds. This accomplishment was made possible by several other enabling discoveries, including the predicted structures derived from the AlphaFold2 database for more than 15,000 human proteins containing more than 80,000 potential binding pockets, as well as the Enamine REAL Space, which is reported to be the world’s largest searchable chemical library comprised of approximately 36 billion make-on-demand molecules. In total, this screen digitally evaluated more than 2.8 quadrillion small molecule-target pairs.
This achievement represents a significant and exciting step toward achieving our mission of decoding biology and chemistry,” said Chris Gibson, Ph.D., Co-Founder and CEO of Recursion. “Until this point, the groundbreaking progress across biology and chemistry that enabled this moment – namely, AlphaFold, the Enamine virtual chemical library and the rapid advancement of large-scale compute and new machine learning approaches – have largely lived in isolation of one another or have been bridged at relatively small scales. Leveraging Recursion’s machine learning and computational expertise and NVIDIA’s technology, we have layered these advances together to predict how each of the molecules in this vast chemical universe may interact with the protein universe.
The company generated this massive new data layer of predicted interactions in less than 90 days after closing the acquisition of Cyclica and in under 30 days since initiating the collaboration with NVIDIA.
MatchMaker uses machine learning to assess whether a small molecule is compatible with a specific protein binding pocket, providing a solution that is significantly less computationally intensive and much more scalable than traditional docking and physics-based interaction simulations. Similar to Recursion’s phenomics platform, the scalability of MatchMaker enables a “high-dimensional” view of biochemistry: activity is predicted not just for a single target, but for many at the same time. This enables three core advantages: First, this predicted data layer can be used to determine which wet-lab experiments should be executed to advance programs faster across a wide range of targets and chemical space. Second, this predicted data layer can be used as part of Recursion’s multi-modal dataset to better understand biological activity across programs quickly and at scale. Finally, this approach can pre-screen for more computationally expensive precision modeling techniques implemented by Recursion’s computational and digital chemistry teams, to more efficiently advance programs.
We are excited to collaborate with Recursion to explore the chemical space and support our mission to accelerate drug discovery,” said Andrey Tolmachev, Ph.D., Founder and Owner of Enamine. He continued: “This achievement in the 36 Billion REAL Space is just a start of our journey. The chemical knowledge accumulated at Enamine over its 35-years history allows us to explore trillions of relationships without compromising the high success rate of synthesis. We believe the predictions made by Recursion can help us prioritize parts of the chemical universe and provide an opportunity to develop focused chemical spaces and novel compounds around discovered hits quickly.
Much of the initial testing and infrastructure development for the project was completed using BioHive-1, Recursion’s in-house supercomputer, an NVIDIA DGX SuperPOD, which is ranked among the top 125 most powerful supercomputers in the world across any industry by TOP500 as of June 2023. The final analysis was made possible by NVIDIA’s DGX Cloud, an advanced AI-training-as-a-service solution to which Recursion gained access following its recently announced collaboration with NVIDIA. Recursion worked with urgency to make this effort happen in a short period of time.
Bringing together powerful data, AI and data-center scale compute, Recursion’s MatchMaker running on NVIDIA DGX Cloud essentially created a time machine for the company’s drug discovery program and sets a new bar for the industry,” said Kimberly Powell, Vice President of Healthcare at NVIDIA. “Within one week, the Recursion team was able to achieve what would have otherwise taken 100,000 years to compute with physics-based methods — setting the stage for a wet-lab, dry-lab flywheel to better predict drug-target interactions and increase a drug’s probability of success in the clinic.
Recursion plans to leverage this new database of predictions to industrialize its chemistry operations across its pipeline and in service to its partners, enabling significantly greater efficiency in its medicinal chemistry cycles. Further, Recursion plans to continue improving and expanding the number and type of chemical properties and interactions it can predict using in-house tools, tools acquired through the acquisition of Cyclica, and tools being developed by Valence Labs, the semi-autonomous research hub powered by Recursion and formed through the acquisition of Valence Discovery.
Namiki and Enamine have collaborated for over 20 years, and for the most part of this time, Namiki was an exclusive distributor of all Enamine products and services. Namiki is an excellent partner providing services on the highest level under any circumstances.
Welcome to the latest update from Enamine - we're delighted to share our growth story with you. In our continued pursuit of scientific excellence and global expansion, we've launched a new subsidiary, Enamine Germany GmbH, based in Frankfurt's Höchst Industrial Park. This significant development strengthens our commitment to provide more localized and efficient services in organic synthesis and medicinal chemistry.
Barcelona, Spain, and Kyiv, Ukraine, April 27, 2023. Nostrum Biodiscovery, a leading provider of computational drug discovery services, and ENAMINE, a global supplier of chemical building blocks and screening compounds, announced today a groundbreaking collaboration for the co-development of a revolutionary search engine tailored for the REAL Space billion database. This partnership aims to deliver unparalleled performance in searching vast chemical spaces while utilizing low computational resources, thus increasing the efficiency and accessibility of drug discovery efforts.
The collaboration will also focus on enhancing High Throughput Virtual Screening (HTVS) services to streamline the drug discovery process. Nostrum Biodiscovery's state-of-the-art AI-enabled screening platform will take center stage in this effort, boasting the capability to evaluate the entire billion compound collection in just hours. This innovative technology promises to identify potential drug candidates within weeks, significantly accelerating the discovery pipeline.
ENAMINE’s expertise in the rapid and reliable provision of compounds will further strengthen the collaboration, ensuring that researchers have timely access to the vast array of molecules in the REAL Space database. This partnership will facilitate the seamless integration of Nostrum Biodiscovery's computational prowess with ENAMINE’s extensive compound collection, directly impacting companies interested in using services offered by both partners and ultimately benefiting the global scientific community and accelerating the path to new drug discoveries.
[Victor Guallar, CSO Nostrum Biodiscovery] “We see it every day in our projects, using the REAL Space database with our AI/MM hybrid HTVS platform is a game changer in finding molecules. Our joint venture with ENAMINE demonstrates our commitment to integrating cutting-edge technology and high-quality compound collections to provide the pharmaceutical industry with unparalleled access to resources that expedite drug discovery. We believe that this partnership will serve as a catalyst for innovation, inspiring ventures to explore uncharted territories in the quest for novel therapeutics.”
[Andrey Tarnovskiy, Sales Director, Europe at Enamine] “This year the size of Enamine’s REAL Space has reached tremendous 36 Billion compounds. We are excited to cooperate with Nostrum Biodiscovery to complement the available suite of search tools for REAL Space exploration with brand-new AI-based solution for high-throughput virtual screening and hope that our synergy will allow to facilitate and strengthen the drug discovery efforts of our customers.”
Kyiv, Ukraine, April 19, 2023 - Enamine Ltd., a provider of drug discovery services empowered with the world’s largest collections of building blocks, fragments, and screening compounds, gave an update of its long-standing research collaboration with Endogena Therapeutics AG, a clinicalstage biotech company focused on the development of endogenous regenerative medicines.
Enamine provides Endogena with its integrated capability in medicinal chemistry to support Endogena’s small molecule drug discovery programs in the fields of hit finding, hit-to-lead and lead optimization.
The companies have been collaborating under a Full Time Equivalent (FTE) model since 2019. The two discovery partners have been continuing their research collaboration to date, their research relationship not being impacted by the war in Ukraine. This collaboration extension, along with many others and new ones established by Enamine since February 24, 2022, already under the conflict, is a systematic positive trend experienced by the company, that demonstrates the support of its customers and the trust they have in receiving high-quality service backed up by the unparalleled number of diverse building blocks available at Enamine.
Sven Weiler, Vice President of Medicinal Chemistry at Endogena, commented: “The interaction with colleagues from Enamine has been a smooth one from the start. In addition to the FTE model, it is great to have access to their huge compound collection and be able to flexibly use Enamine’s capacity to its full potential. We value the output and responsiveness of the Enamine team, helping us to achieve our demanding milestones. It is stunning to see how well Enamine has been able to keep pace after February 2022.”
Michael Bossert, Head of Strategic Alliances at Enamine, added: “After 13 months of the war in the country, we are especially pleased to announce our collaboration with Endogena, a longlasting partner we have been serving during those several years with extensive medicinal chemistry and SAR efforts”.
San Francisco, USA, and Kyiv, Ukraine, March 6 2023. OpenBench, the first success-driven service for small molecule hit discovery, and Enamine, the world’s leading provider of astronomical numbers of compounds for biological screening, today announced the extension of their collaboration to enrich global early discovery efforts.
Kyiv, Ukraine, January 16, 2023. Enamine Ltd., the world’s leading designer and supplier of screening compound libraries and building blocks, together with UORSY, a top Ukrainian chemical company producing products for early drug discovery, announced today the creation of a joint “Legacy” screening collection.
Barcelona, Spain, and Kyiv, Ukraine, 15 December 2022. Pharmacelera, the leading provider of computational tools for hit discovery, and Enamine, the developer of REAL Database – the world’s largest virtual library of highly feasible compounds, have announced a partnership to jointly provide an efficient solution for hit finding. Ultra-large chemical libraries are observed as one of the key paradigms to access an unexplored chemical space. How to traverse these enormous spaces accurately is a research area that has raised the interest of the pharmaceutical industry, since finding novel hits with chemical diversity is a fundamental pillar in drug discovery.
Dear Colleagues, Customers, and Friends,
It has been 43 days.
Forty-three days with thousands of bombs, shells, and missiles fired out at our cities and villages, thousands of destroyed buildings, bridges, streets, thousands of killed people. And there are to be feared thousands of victims yet to come as the war continues with a new focus to the East of our country, the war for democracy to prevail against dictatorship and tyranny, the war of the civilized world against the paranoiac barbarians, the war of good against evil. Russia commits genocide against Ukrainians, terrorizes the population, and engages in looting. Nowadays after the crimes in Chernihiv and Kharkiv, after the massacre in Bucha, Irpin and Borodyanka, everybody understands: the world appears to be once again black and white these days and one can see clearly who stands on the side of Ukraine.
I am thankful to the countries and businesses that support Ukraine. I thank those of you who provide donations and help our refugees, everyone who decided to stop paying taxes and operation in Russia, and everyone who just spreads the truth and makes others aware of it. It is hard to overestimate the importance of knowing and feeling that we are not alone in our fight for freedom.
The situation in Kyiv has significantly improved and normalized for the past 2 weeks, so is the west part of our country. We are glad to see that several countries are re-opening their embassies in Kyiv. The president of the European Commission, Ursula von der Leyen, will visit Kyiv in the coming days. This shows optimal level of safety for our employees notably, and that the city returns to normal life. Following the call of our President and Prime minister to resume operations where and when it is possible, in compliance with strict safety regulations ruled by our local authorities, we, Team Enamine including already over 300 chemists, have collectively decided to get back to work in Kyiv. Indeed, gradually, since not all the chemistry can be performed right now, e.g., we avoid performing large-scale synthesis. We also expect some delays with purification and delivery for the first period, being determined to solve these issues as soon as possible with the drastically improving situation. We confirm that a major part of our synthetic operations can be performed, and that our chemists and biologists are ready and motivated to work on your projects and tasks.
Now I personally address these words to you, our valued customers and supporters. Please kindly consider resuming ordering our products and services and let us just do in that manner what we love and are best at: the synthesis. Please help us to restart the work at our full steam on custom synthesis, FTE projects and synthesis of make-on-demand building blocks. We are delighted to continue working with our established customers and are most happy to start new collaborations as we are solicitated.
Continuing ordering our compounds and services is the best support because it allows us to operate and keep our employees, our business and Ukraine strong, beside the other key reason of expediting uniquely your valuable research programs with the Art of Enamine.
Thank you!
Slava Ukraini!
Andrey Tolmachov
Founder and CEO of Enamine
Dear Customers, Dear Colleagues, Dear Friends,
The war in our country lasts more than 10 days. We have put on hold most of our operations in Kyiv and ask our customers to wait until this situation is resolved. We thank all of you for your patience. During this time, we have been able to estimate our resources, capabilities, and plan next steps to be done. Now I would like to highlight some of them:
Dear Customers, Dear Colleagues, Dear Friends,
When I started the company after the USSR collapse there were just a couple of labs in the academic institute. Nowadays my company is well known around the world.
Cambridge, England, and Kyiv, Ukraine, December 20, 2021 -- Cambridge Molecular, a leading provider of machine learning and data science services for DNA-Encoded Libraries, announces a collaboration with Enamine, a pioneer in the creation of ultra-large chemical spaces of highly feasible compounds. Enamine is supported by the highly capable IT platform of Chemspace, an online chemical marketplace leader and experienced provider of compound sourcing and procurement services. The partners will apply Cambridge Molecular's deep learning DEL follow-up tool DeepDELve 2 to the world’s largest catalogue of small molecules provided by Chemspace including 20 billion compounds from Enamine’s REAL® Space.
Kyiv, Ukraine, 22 November 2021. Recently, Prof. Magolan and coworkers from McMaster University (Hamilton, Ontario, Canada) reported that hexafluoroisopropyl sulfamate (HFIPS) is a convenient reagent for the sulfamoylation of alcohols and amines (Org. Lett. 2021, 23, 3373–3378). HFIPS has also been used for metal-catalyzed C–H aminations (J. Am. Chem. Soc. 2014, 136, 5783–5789) and for the synthesis of aziridines using silver catalysis (Synthesis 2018, 50, 4462–4470) or electrochemical conditions (Angew. Chem. Int. Ed. 2018, 57, 5695–5698). Enamine has adapted and scaled-up the published procedure to synthesize HFIPS and make it more accessible to scientists worldwide. The reagent is now available in Enamine’s catalogue in multigram quantities.
Kyiv, Ukraine, 18 October 2021. Several months ago, Prof. Levin and co-workers from University of Chicago developed an elegant method for the “skeletal editing” of organic molecules by nitrogen atom deletion (see Nature 2021, 593, 223–227). Their strategy included the use of an anomeric N-pivaloyloxy-N-alkoxyamide amide as the key reagent. Enamine, the world-leading compound supplier, is proud to announce that this reagent has been just added to the company’s product catalog. The compound is now available from the company’s stock in multigram quantities.
SANTA FE, N.M., USA, & KYIV, Ukraine – September 9, 2021 – OpenEye Scientific and Enamine, a leading global provider of billions of new screening compounds to the drug discovery market, are partnering to enable faster and more accurate virtual screening of ultra-large compound libraries through access to innovative software.
Kyiv, Ukraine, June 24, 2021. Enamine Ltd. a provider of drug discovery services empowered with the world’s largest collections of building blocks, fragments, and screening compounds announced today that it forms a strategic alliance with Chemspace, an online marketplace leader for small molecules, and will use the company as its exclusive aggregator platform to supply worldwide all its catalogue products starting from January 1, 2022. Chemspace will be the only online commercial resource in the world that will enable accessing and searching all Enamine’s catalogs. Enamine will continue direct supplies to the drug discovery community and at the same time will cease its historical collaborations with all other compound aggregator platforms.
The company's expansion in the biological assay space aided by the data platform
SAN FRANCISCO and KYIV, Ukraine, June 10, 2021 - Enamine, a leading provider of R&D Services as well as Screening Compounds, Fragments, Building Blocks and specialized libraries for Drug Discovery, announced today that it had implemented Collaborative Drug Discovery's CDD Vault to manage its biological assay data. The platform will enable seamless and secure exchange of information between Enamine and its partners in pharmaceuticals, biotechs and other organizations conducting drug discovery research.
A new multi-year drug discovery agreement will focus on CNS drug discovery
Kyiv, Ukraine, February 24 2021 - Enamine Ltd. a provider of drug discovery services empowered with the world’s largest collections of building blocks, fragments and screening compounds announced today that it has extended its long-standing research collaboration with Addex Therapeutics Ltd (SIX: ADXN and Nasdaq: ADXN), a clinical-stage pharmaceutical company specialized in allosteric modulation-based drug discovery and development. Enamine is providing Addex with its integrated capability in medicinal chemistry, pharmacology and ADME/PK (Absorption, Distribution, Metabolism, Excretion/Pharmacokinetics) to efficiently support Addex’ small molecule CNS drug discovery programs.
Enamine Ltd., a leading chemical research organization and producer of the world’s largest collections of novel building blocks (225,000+) and screening compound libraries (2,740,000+), has joined the Advanced Machine Learning for Innovative Drug Discovery (AIDD) program, funded by the European Union within the framework of the Marie-Skłodowska-Curie Actions (MSCA) with a budget of Euros 3.93 million. The project, coordinated by Helmholtz Zentrum München,Germany, brings together fifteen institutions from eleven countries in addition to the University of British Columbia (Canada) to train sixteen PhD students in close collaboration with associated partners from the USA, Australia, China, Israel and other countries and develop next generation AI and Machine Learning (ML) models and systems for drug discovery.
Enamine Ltd., a leading chemical research organization and producer of the world’s largest collections of novel building blocks (225,000+) and screening compound libraries (2,740,000+), today announced the release of the Coronavirus Library. The new screening library capitalizes on Enamine’s decades of chemical R&D, advanced library design expertise, and experience with creating focused antiviral libraries. Enamine is a participant of a global Open Science initiative “COVID Moonshot”, aimed at discovering novel therapeutics against SARS-CoV-2.