Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 17/20 | 0.52 |
| ▸ | CDK2 | P24941 | 17/20 | 0.52 |
| ▸ | KDR | P35968 | 15/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CDK4 | P11802 | 2/20 | 0.52 |
| ▸ | CDK7 | P50613 | 2/20 | 0.52 |
| ▸ | CDK9 | P50750 | 2/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
| ▸ | CCNH | P51946 | 1/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.51 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14367806 | 0.91 | CDK1 (0.65) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14367783 | 0.91 | KDR (0.51) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14367797 | 0.88 | KDR (0.49) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4058042 | 0.86 | CDK1 (0.66) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14367800 | 0.86 | CDK1 (0.56) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14367799 | 0.85 | CDK1 (0.55) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4064519 | 0.85 | CDK1 (0.55) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14367804 | 0.84 | CDK1 (0.50) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL4063093 | 0.84 | KDR (0.54) | CDK1CDK2KDRCA2CDK4 | |
| SCHEMBL14367807 | 0.83 | CDK1 (0.52) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7288547-B2 | CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents | SCHERING AG (DE) | 2007-10-30 | — | — | US | disclosed |