⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1428236 | 0.98 | — | — | |
| SCHEMBL2229452 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL4712511 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL8640560 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL2569149 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL286072 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL3658217 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL6050828 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL10891279 | 0.95 | CYP2D6 (0.32) | — | |
| SCHEMBL8640554 | 0.95 | CYP2D6 (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541445-B2 | Pyrazolopyridines | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-24 | — | — | US | disclosed |
| EP-2566866-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS PKC-THETA INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2013-03-13 | — | — | EP | disclosed |
| US-8367697-B2 | Kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-05 | — | — | US | disclosed |
| US-20120178778-A1 | PYRAZOLOPYRIDINES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120172379-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-05 | — | — | US | disclosed |
| EP-2215089-B1 | [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA | VERTEX PHARMA (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20120149680-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | US | disclosed |
| US-8173635-B2 | Kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-08 | — | — | US | disclosed |
| EP-2427464-A1 | PYRAZOLOPYRIDINES | Vertex Pharmaceuticals Incorporated (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2011139273-A1 | 4 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS PKC-THETA INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |
| WO-2010129668-A1 | PYRAZOLOPYRIDINES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-11 | — | — | WO | disclosed |
| EP-2215089-A1 | [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA | Vertex Pharmaceuticals Incorporated (US) | 2010-08-11 | — | — | EP | disclosed |
| US-20090291937-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-26 | — | — | US | disclosed |
| WO-2009073300-A1 | [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-11 | — | — | WO | disclosed |