Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.71 |
| ▸ | CDK7 | P50613 | 4/20 | 0.55 |
| ▸ | KDR | P35968 | 4/20 | 0.53 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.46 |
| ▸ | SIK3 | Q9Y2K2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4295032 | 0.85 | CHEK1 (0.78) | CHEK1CDK7KDR | |
| SCHEMBL4298782 | 0.83 | CHEK1 (1.00) | CHEK1CDK7 | |
| SCHEMBL4299130 | 0.78 | CHEK1 (0.79) | CHEK1CDK7KDR | |
| SCHEMBL29632483 | 0.73 | KDR (0.68) | CHEK1CDK7KDRSIK2SIK3 | |
| SCHEMBL7236764 | 0.71 | KDR (0.86) | CHEK1CDK7KDR | |
| SCHEMBL4297814 | 0.71 | KDR (0.63) | CHEK1CDK7KDRSIK2SIK3 | |
| SCHEMBL12002480 | 0.71 | CHEK1 (0.64) | CHEK1CDK7 | |
| SCHEMBL4288041 | 0.71 | CHEK1 (0.85) | CHEK1CDK7 | |
| SCHEMBL1704907 | 0.71 | CHEK1 (1.00) | CHEK1CDK7 | |
| SCHEMBL6177379 | 0.71 | KDR (1.00) | CHEK1CDK7KDR |
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-1893607-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006135604-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-12-21 | — | — | WO | disclosed |