⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5096053 | 0.81 | — | — | |
| SCHEMBL1765849 | 0.77 | GDA (0.34) | — | |
| SCHEMBL3579705 | 0.74 | OPRM1 (0.35) | — | |
| SCHEMBL16376068 | 0.74 | GDA (0.32) | — | |
| SCHEMBL3318832 | 0.71 | PARP1 (0.34) | — | |
| SCHEMBL3321019 | 0.71 | ENPP2 (0.34) | — | |
| SCHEMBL27490214 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL3319226 | 0.69 | HPGD (0.39) | — | |
| SCHEMBL31370049 | 0.69 | CYP1A2 (0.46) | — | |
| SCHEMBL10002445 | 0.68 | GSK3B (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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |
| US-6743791-B2 | ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-01 | — | — | US | claimed |
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| US-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-15 | — | — | US | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | claimed |
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | disclosed |
| US-7776890-B2 | 1H-indazole compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-08-17 | — | — | US | disclosed |
| EP-1380576-B1 | 1H-INDAZOLE COMPOUNDS INHIBITING JNK | EISAI R&D MAN CO LTD (JP) | 2009-11-25 | — | — | EP | disclosed |
| US-20090203691-A1 | Novel 1H-indazole compounds | OINUMA HITOSHI | 2009-08-13 | — | — | US | disclosed |
| US-20070265263-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | CAO JINGRONG | 2007-11-15 | — | — | US | disclosed |
| US-7253187-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-07 | — | — | US | disclosed |
| US-6982274-B2 | 1H-indazole compound | EISAI CO., LTD. (JP) | 2006-01-03 | — | — | US | disclosed |
| US-20040229875-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-11-18 | — | — | US | disclosed |
| US-20040127538-A1 | Novel 1h-indazole compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-07-01 | — | — | US | disclosed |
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |