Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 19/20 | 0.70 |
| ▸ | CDK2 | P24941 | 18/20 | 0.70 |
| ▸ | KDR | P35968 | 15/20 | 0.70 |
| ▸ | CA2 | P00918 | 4/20 | 0.70 |
| ▸ | CDK4 | P11802 | 2/20 | 0.70 |
| ▸ | CDK7 | P50613 | 2/20 | 0.70 |
| ▸ | CDK9 | P50750 | 2/20 | 0.70 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.70 |
| ▸ | CCND1 | P24385 | 1/20 | 0.70 |
| ▸ | CCNH | P51946 | 1/20 | 0.70 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.68 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL13648696 | 1.00 | CDK1 (0.70) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4065060 | 0.92 | CDK1 (0.72) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4057646 | 0.87 | CDK1 (0.82) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648309 | 0.87 | CDK1 (0.82) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14355412 | 0.87 | CDK1 (0.68) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648694 | 0.87 | CDK1 (0.68) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4060373 | 0.87 | CDK1 (0.68) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL13648697 | 0.85 | CDK1 (0.72) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4062910 | 0.85 | CDK1 (0.72) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4060150 | 0.85 | CDK1 (0.66) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392662-B1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2009-01-07 | — | — | EP | claimed |
| EP-1392662-B1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2009-01-07 | — | — | EP | disclosed |