⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5668925 | 0.85 | NPC1 (0.39) | — | |
| SCHEMBL5667336 | 0.66 | CDK4 (0.45) | — | |
| SCHEMBL13865878 | 0.64 | NPC1 (0.38) | — | |
| SCHEMBL13870888 | 0.63 | NPC1 (0.35) | — | |
| SCHEMBL5667412 | 0.61 | CDK4 (0.42) | — | |
| SCHEMBL5669493 | 0.61 | NPC1 (0.39) | — | |
| SCHEMBL13866107 | 0.59 | NPC1 (0.36) | — | |
| SCHEMBL13865832 | 0.57 | KDM4E (0.35) | — | |
| SCHEMBL6080442 | 0.52 | MAPK1 (0.51) | — | |
| SCHEMBL6657286 | 0.50 | TLR8 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7148224-B2 | An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-12 | — | — | US | disclosed |
| US-20050176719-A1 | Novel pyrazinone derivatives | MSD K.K. (JP) | 2005-08-11 | — | — | US | disclosed |
| US-6914062-B2 | Pyrazinone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1295878-B1 | PYRAZINONE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-20030203907-A1 | An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis | MSD K.K. (JP) | 2003-10-30 | — | — | US | disclosed |
| EP-1295878-A1 | NOVEL PYRAZINONE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-03-26 | — | — | EP | disclosed |