Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 17/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727026 | 0.92 | CHEK1 (0.45) | CHEK1 | |
| SCHEMBL2727356 | 0.92 | CHEK1 (0.44) | CHEK1 | |
| SCHEMBL2729781 | 0.89 | CHEK1 (0.43) | CHEK1NPC1MAPK1RAB9AATM | |
| SCHEMBL2729048 | 0.80 | CHEK1 (0.53) | CHEK1NPC1MAPK1RAB9AATM | |
| SCHEMBL2728078 | 0.78 | CHEK1 (0.56) | CHEK1 | |
| SCHEMBL2729677 | 0.75 | CHEK1 (0.45) | CHEK1IRAK4 | |
| SCHEMBL2734126 | 0.75 | CLK2 (0.42) | CHEK1 | |
| SCHEMBL2727610 | 0.75 | CHEK1 (0.58) | CHEK1NPC1RAB9A | |
| SCHEMBL14328723 | 0.72 | CHEK1 (0.69) | CHEK1 | |
| SCHEMBL2727017 | 0.70 | CHEK1 (0.46) | CHEK1 |
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 |