⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1919423 | 0.77 | — | — | |
| SCHEMBL4927804 | 0.77 | GABRA1 (0.31) | — | |
| SCHEMBL7250143 | 0.75 | — | — | |
| SCHEMBL4093296 | 0.75 | — | — | |
| SCHEMBL9886389 | 0.75 | — | — | |
| SCHEMBL1010195 | 0.71 | — | — | |
| SCHEMBL5799922 | 0.71 | — | — | |
| SCHEMBL4553506 | 0.71 | — | — | |
| SCHEMBL2599238 | 0.71 | — | — | |
| SCHEMBL7805477 | 0.69 | DHFR (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076479-B2 | useful as cyclin-dependent kinase inhibitor compounds; minimizes the need for chromatographic purification of intermediates, and utilizes fewer changes of solvent systems | SCHERING CORPORATION (US) | 2011-12-13 | — | — | US | claimed |
| CN-101627041-A | Processes and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3, 3A-dihydro-pyrazolo [1, 5-a ] pyrimidin-7-yl) -amino derivatives and intermediates | SCHERING CORP | 2010-01-13 | — | — | CN | claimed |
| EP-2057166-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDRO- PYRAZOLOÝ1,5-A¨PYRIMIDIN-7-YL)-AMINO DERIVATIVES AND INTERMEDIATES | SCHERING CORPORATION (US) | 2009-05-13 | — | — | EP | claimed |
| WO-2008027220-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3, 3A-DIHYDROPYRAZOL0 [1, 5-A] PYRIMIDIN-7-YL) -AMINO DERIVATIVES | SCHERING CORPORATION (US) | 2008-03-06 | — | — | WO | claimed |
| US-20080058518-A1 | Process and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3,3a-dihydro-pyrazolo[1,5-a]pyrimidin-7-yl)-amino derivatives and intermediates | MERCK SHARP & DOHME LLC | 2008-03-06 | — | — | US | claimed |
| JP-10029980-A | — | — | None | — | — | JP | disclosed |
| EP-2057166-B1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-AMINO DERIVATIVES | MERCK SHARP & DOHME (US) | 2018-07-11 | — | — | EP | disclosed |
| US-8076479-B2 | useful as cyclin-dependent kinase inhibitor compounds; minimizes the need for chromatographic purification of intermediates, and utilizes fewer changes of solvent systems | SCHERING CORPORATION (US) | 2011-12-13 | — | — | US | disclosed |
| US-8076479-B2 | useful as cyclin-dependent kinase inhibitor compounds; minimizes the need for chromatographic purification of intermediates, and utilizes fewer changes of solvent systems | SCHERING CORPORATION (US) | 2011-12-13 | — | — | US | disclosed |
| CN-101627041-A | Processes and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3, 3A-dihydro-pyrazolo [1, 5-a ] pyrimidin-7-yl) -amino derivatives and intermediates | SCHERING CORP | 2010-01-13 | — | — | CN | disclosed |
| EP-2057166-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3,3A-DIHYDRO- PYRAZOLOÝ1,5-A¨PYRIMIDIN-7-YL)-AMINO DERIVATIVES AND INTERMEDIATES | SCHERING CORPORATION (US) | 2009-05-13 | — | — | EP | disclosed |
| US-7396929-B2 | Synthesis of 3-amino-4-substituted pyrazole derivatives | SCHERING CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |
| WO-2008027220-A2 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (3-ALKYL-5-PIPERIDIN-1-YL-3, 3A-DIHYDROPYRAZOL0 [1, 5-A] PYRIMIDIN-7-YL) -AMINO DERIVATIVES | SCHERING CORPORATION (US) | 2008-03-06 | — | — | WO | disclosed |
| US-20080058518-A1 | Process and intermediates for the synthesis of (3-alkyl-5-piperidin-1-yl-3,3a-dihydro-pyrazolo[1,5-a]pyrimidin-7-yl)-amino derivatives and intermediates | MERCK SHARP & DOHME LLC | 2008-03-06 | — | — | US | disclosed |
| EP-1891016-A2 | SYNTHESIS OF 3-AMINO-4-SUBSTITUTED PYRAZOLE DERIVATIVES | SCHERING CORPORATION (US) | 2008-02-27 | — | — | EP | disclosed |
| US-20060281756-A1 | By formylating an acetonitrile derivative with a formic acid ester in the presence of lithium diisopropyl amide or lithium, potassium or sodium bis(trimethylsilyl)amide; and reacting the product with hydrazine and acetic acid in an alcoholic solvent at 50-150 degrees C | SCHERING CORPORATION | 2006-12-14 | — | — | US | disclosed |
| WO-2006133322-A2 | SYNTHESIS OF 3-AMINO-4-SUBSTITUTED PYRAZOLE DERIVATIVES | SCHERING CORPORATION (US) | 2006-12-14 | — | — | WO | disclosed |
| JP-H1029980-A | PRODUCTION OF 4-ALKYL-3-AMINOPYRAZOLE COMPOUND AND INTERMEDIATE FOR SYNTHESIZING THE SAME | FUJI PHOTO FILM CO LTD | 1998-02-03 | — | — | JP | disclosed |
| EP-0018473-B1 | PROCESS FOR THE PREPARATION OF BETA-ALKOXY-ACRYLONITRILES, 3-AMINO-ACRYLONITRILES AND 2-CYANO-VINYL ESTERS | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1982-12-29 | — | — | EP | disclosed |
| EP-0018473-A1 | Process for the preparation of beta-alkoxy-acrylonitriles, 3-amino-acrylonitriles and 2-cyano-vinyl esters | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1980-11-12 | — | — | EP | disclosed |