⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2959762 | 0.80 | CDK4 (0.38) | — | |
| SCHEMBL2955895 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL2958784 | 0.79 | IDO1 (0.39) | — | |
| SCHEMBL2960274 | 0.78 | G6PD (0.30) | — | |
| SCHEMBL2949354 | 0.78 | MAPK14 (0.34) | — | |
| SCHEMBL2953701 | 0.78 | KDR (0.36) | — | |
| SCHEMBL2960754 | 0.77 | EGFR (0.37) | — | |
| SCHEMBL2958483 | 0.76 | CYP3A4 (0.39) | — | |
| SCHEMBL2957270 | 0.75 | CXCR2 (0.39) | — | |
| SCHEMBL2958074 | 0.75 | MAP2K1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763729-B2 | Bicyclic heteroaromatic derivatives | UCB PHARMA S.A. (BE) | 2010-07-27 | — | — | US | disclosed |
| US-20090042877-A1 | Bicyclic Heteroaromatic Derivatives | CELLTECH R&D LIMITED (GB) | 2009-02-12 | — | — | US | disclosed |
| US-7423047-B2 | Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors | CELLTECH R&D LIMITED (GB) | 2008-09-09 | — | — | US | disclosed |
| US-20060004025-A1 | Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors | UCB PHARMA S.A. (BE) | 2006-01-05 | — | — | US | disclosed |