Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 20/20 | 0.49 |
| ▸ | CDK2 | P24941 | 18/20 | 0.49 |
| ▸ | KDR | P35968 | 15/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CDK4 | P11802 | 2/20 | 0.49 |
| ▸ | CDK7 | P50613 | 2/20 | 0.49 |
| ▸ | CDK9 | P50750 | 2/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | CCNH | P51946 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL13648605 | 0.89 | CDK1 (0.59) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648610 | 0.86 | CDK1 (0.53) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648624 | 0.85 | CDK1 (0.49) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648502 | 0.79 | CDK1 (0.58) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648627 | 0.78 | CDK1 (0.51) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648652 | 0.78 | CDK1 (0.57) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648525 | 0.78 | CDK1 (0.57) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648608 | 0.78 | GSK3B (0.63) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4063396 | 0.77 | CDK1 (0.60) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4063258 | 0.77 | CDK1 (0.80) | CDK1CDK2KDRCA2CDK4 |
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-7291624-B2 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AG (DE) | 2007-11-06 | — | — | US | disclosed |
| US-7291624-B2 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AG (DE) | 2007-11-06 | — | — | US | disclosed |
| US-7235561-B2 | Compound and a composition including such a compound | SCHERING AG (DE) | 2007-06-26 | — | — | US | disclosed |
| US-7235561-B2 | Compound and a composition including such a compound | SCHERING AG (DE) | 2007-06-26 | — | — | US | disclosed |