Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 16/20 | 0.42 |
| ▸ | CDK7 | P50613 | 9/20 | 0.40 |
| ▸ | ITK | Q08881 | 2/20 | 0.38 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5051871 | 0.75 | CHEK1 (0.70) | CHEK1CDK7 | |
| SCHEMBL5051829 | 0.71 | CHEK1 (0.50) | CHEK1CDK7 | |
| SCHEMBL146834 | 0.65 | CHEK1 (0.76) | CHEK1CDK7ITK | |
| SCHEMBL5051817 | 0.65 | CHEK1 (0.47) | CHEK1CDK7 | |
| SCHEMBL5061556 | 0.64 | CHEK1 (0.60) | CHEK1CDK7 | |
| SCHEMBL5061204 | 0.64 | CHEK1 (0.58) | CHEK1CDK7 | |
| SCHEMBL14309220 | 0.61 | CHEK1 (0.76) | CHEK1CDK7 | |
| SCHEMBL5082047 | 0.60 | CHEK1 (0.75) | CHEK1 | |
| SCHEMBL14319801 | 0.60 | MAPT (0.47) | CHEK1 | |
| SCHEMBL5058834 | 0.60 | CHEK1 (0.78) | CHEK1CDK7ITK |
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-1851203-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2007-11-07 | — | — | EP | claimed |
| WO-2006086255-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-08-17 | — | — | WO | claimed |