⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31580234 | 0.85 | — | — | |
| SCHEMBL10064871 | 0.81 | — | — | |
| SCHEMBL20160787 | 0.75 | OPRL1 (0.39) | — | |
| SCHEMBL10036622 | 0.75 | CA12 (0.37) | — | |
| SCHEMBL14629935 | 0.75 | SMYD3 (0.41) | — | |
| SCHEMBL4514731 | 0.75 | — | — | |
| SCHEMBL15862856 | 0.74 | — | — | |
| SCHEMBL18909344 | 0.74 | — | — | |
| SCHEMBL10064482 | 0.72 | — | — | |
| SCHEMBL8489099 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11130749-B2 | — | — | 2021-09-28 | — | — | US | disclosed |
| WO-2019228403-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2019-12-05 | — | — | WO | disclosed |
| EP-3077397-B1 | 2-AMINO-6-FLUORO-N-[5-FLUORO-PYRIDIN-3-YL]PYRAZOLO[1,5-A]PYRIMIDIN-3-CARBOXAMIDE COMPOUND USEFUL AS ATR KINASE INHIBITOR, ITS PREPARATION, DIFFERENT SOLID FORMS AND RADIOLABELLED DERIVATIVES THEREOF | VERTEX PHARMA (US) | 2019-09-18 | — | — | EP | disclosed |
| US-20190276440-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) | 2019-09-12 | — | — | US | disclosed |
| WO-2019079373-A1 | PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | disclosed |
| EP-2941432-B1 | 2-AMINO-6-FLUORO-N-(5-FLUORO-4-(4-(4-(OXETAN-3-YL)PIPERAZINE-1-CARBONYL)PIPERIDIN-1-YL)PYRIDIN-3-YL)PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMIDE AS INHIBITOR OF ATR KINASE | VERTEX PHARMA (US) | 2018-03-07 | — | — | EP | disclosed |
| EP-2742039-A1 | COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE | F. Hoffmann-La Roche AG (CH) | 2014-06-18 | — | — | EP | disclosed |
| WO-2013020993-A1 | COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-14 | — | — | WO | disclosed |