Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 5/20 | 0.41 |
| ▸ | CDK7 | P50613 | 4/20 | 0.41 |
| ▸ | MPL | P40238 | 4/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TEK | Q02763 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4300436 | 0.80 | CHEK1 (0.59) | CHEK1CDK7MPL | |
| SCHEMBL20259919 | 0.66 | KIT (0.46) | CHEK1CDK7KITFLT3TGFBR1 | |
| SCHEMBL30469347 | 0.66 | GABRA5 (0.51) | TGFBR1KDR | |
| SCHEMBL4292092 | 0.66 | CHEK1 (0.61) | CHEK1CDK7 | |
| SCHEMBL4291439 | 0.64 | CHEK1 (0.76) | CHEK1CDK7KDR | |
| SCHEMBL4297435 | 0.63 | CHEK1 (0.75) | CHEK1CDK7 | |
| SCHEMBL13524936 | 0.63 | CHEK1 (0.71) | CHEK1CDK7 | |
| SCHEMBL4294904 | 0.62 | CHEK1 (0.76) | CHEK1CDK7 | |
| SCHEMBL24358064 | 0.59 | GABRA5 (0.45) | CHEK1CDK7FLT3TGFBR1LCK | |
| SCHEMBL29601482 | 0.59 | GABRA5 (0.45) | CHEK1CDK7FLT3TGFBR1LCK |
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 |