Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 14/20 | 0.50 |
| ▸ | CDK4 | P11802 | 10/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6599785 | 0.88 | CDK2 (0.52) | CDK2CDK4CDK9EIF2AK2KCNH2 | |
| SCHEMBL6597472 | 0.81 | CDK2 (0.49) | CDK2CDK4CCNE1AURKACDK1 | |
| SCHEMBL4613643 | 0.78 | CDK2 (0.50) | CDK2CDK4CCNE1AURKACDK1 | |
| SCHEMBL6600525 | 0.76 | CDK2 (0.74) | CDK2CDK4CCNE1AURKACDK1 | |
| SCHEMBL6600211 | 0.70 | CDK4 (0.58) | CDK2CDK4AURKBEIF2AK2KCNH2 | |
| SCHEMBL6601086 | 0.69 | CDK2 (0.58) | CDK2CDK4CDK1CDK7CDK9 | |
| SCHEMBL4616002 | 0.67 | CDK2 (1.00) | CDK2CDK4EIF2AK2MAPK8MAPK10 | |
| SCHEMBL4615032 | 0.67 | CDK2 (0.77) | CDK2CDK4CCNE1AURKACDK1 | |
| SCHEMBL6277074 | 0.67 | CDK2 (0.53) | CDK2CDK4CCNE1CDK1CDK7 | |
| SCHEMBL6600190 | 0.67 | CDK4 (0.58) | CDK2CDK4AURKB |
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-1373253-A1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | Cyclacel Limited (GB) | 2004-01-02 | — | — | EP | claimed |
| WO-2002079193-A1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | CYCLACEL LIMITED (GB) | 2002-10-10 | — | — | WO | claimed |