Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 9/20 | 0.44 |
| ▸ | KDR | P35968 | 9/20 | 0.44 |
| ▸ | CDK2 | P24941 | 9/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CDK4 | P11802 | 2/20 | 0.44 |
| ▸ | CDK7 | P50613 | 2/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | JAK3 | P52333 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4063693 | 1.00 | CDK1 (0.44) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4068949 | 0.91 | CDK1 (0.52) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4060085 | 0.90 | CDK1 (0.56) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4067380 | 0.88 | KDR (0.43) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4060679 | 0.87 | CDK1 (0.45) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4061492 | 0.86 | ALDH1A1 (0.44) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4061041 | 0.85 | CDK1 (0.45) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4063707 | 0.85 | CDK1 (0.43) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4060305 | 0.85 | CDK1 (0.45) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4066529 | 0.85 | CDK2 (0.45) | CDK1KDRCDK2CA2CDK4 |
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 1 patent. 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 | disclosed |