⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL802600 | 0.92 | ATM (0.33) | — | |
| SCHEMBL13108036 | 0.82 | MEN1 (0.35) | — | |
| SCHEMBL802590 | 0.79 | PDE10A (0.30) | — | |
| SCHEMBL12619555 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL25749140 | 0.76 | — | — | |
| SCHEMBL805581 | 0.74 | ATM (0.34) | — | |
| SCHEMBL802212 | 0.74 | HTR2B (0.33) | — | |
| SCHEMBL802015 | 0.71 | NPSR1 (0.39) | — | |
| SCHEMBL801820 | 0.71 | NPSR1 (0.39) | — | |
| SCHEMBL12619564 | 0.71 | ALDH1A1 (0.38) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8669081-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-11 | — | — | US | disclosed |
| US-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-8524720-B2 | Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-20110086856-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-14 | — | — | US | disclosed |
| US-7863282-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-07 | — | — | US | disclosed |
| US-7691853-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-06 | — | — | US | disclosed |
| US-7473691-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-06 | — | — | US | disclosed |
| US-7390815-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-24 | — | — | US | disclosed |
| US-20070270444-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-22 | — | — | US | disclosed |
| US-20070190634-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-16 | — | — | US | disclosed |
| US-20070179133-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| US-7179826-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-02-20 | — | — | US | disclosed |