Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 20/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727017 | 0.94 | CHEK1 (0.46) | CHEK1CCNE1CDK2 | |
| SCHEMBL2729777 | 0.92 | CHEK1 (0.46) | CHEK1CCNE1CDK2 | |
| SCHEMBL2728078 | 0.91 | CHEK1 (0.56) | CHEK1 | |
| SCHEMBL14206592 | 0.91 | CHEK1 (0.56) | CHEK1CCNE1CDK2 | |
| SCHEMBL2727624 | 0.88 | CHEK1 (0.44) | CHEK1CCNE1CDK2 | |
| SCHEMBL2732556 | 0.87 | CHEK1 (0.59) | CHEK1CCNE1CDK2 | |
| SCHEMBL14328724 | 0.85 | CHEK1 (0.56) | CHEK1CCNE1CDK2 | |
| SCHEMBL2732167 | 0.83 | CHEK1 (0.42) | CHEK1CCNE1CDK2 | |
| SCHEMBL14328725 | 0.83 | CHEK1 (0.59) | CHEK1CCNE1CDK2 | |
| SCHEMBL14206465 | 0.83 | CHEK1 (0.57) | CHEK1CCNE1CDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632263-A1 | NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | claimed |
| WO-2012058174-A1 | NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | claimed |
| EP-2632263-A1 | NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058174-A1 | NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |