Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 19/20 | 0.59 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL2731268 | 0.94 | CHEK1 (0.57) | CHEK1IRAK4CCNE1CDK2 | |
| SCHEMBL2732147 | 0.92 | CHEK1 (0.57) | CHEK1IRAK4 | |
| SCHEMBL14206461 | 0.92 | CHEK1 (0.56) | CHEK1IRAK4 | |
| SCHEMBL14206687 | 0.91 | CHEK1 (0.71) | CHEK1 | |
| SCHEMBL2731832 | 0.91 | CHEK1 (0.56) | CHEK1IRAK4CCNE1CDK2 | |
| SCHEMBL2729953 | 0.89 | CHEK1 (0.56) | CHEK1IRAK4 | |
| SCHEMBL2727576 | 0.89 | CHEK1 (0.57) | CHEK1IRAK4 | |
| SCHEMBL2731148 | 0.89 | CHEK1 (0.57) | CHEK1IRAK4CCNE1CDK2 | |
| SCHEMBL14206469 | 0.88 | CHEK1 (0.56) | CHEK1IRAK4 | |
| SCHEMBL14328818 | 0.88 | CHEK1 (0.54) | CHEK1IRAK4CCNE1CDK2 |
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-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 |