Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.60 |
| ▸ | KDR | P35968 | 5/20 | 0.42 |
| ▸ | CDK7 | P50613 | 4/20 | 0.41 |
| ▸ | FLT3 | P36888 | 8/20 | 0.36 |
| ▸ | KIT | P10721 | 6/20 | 0.36 |
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13701567 | 0.75 | CHEK1 (1.00) | CHEK1KDRCDK7 | |
| SCHEMBL4297337 | 0.75 | CHEK1 (0.72) | CHEK1KDRCDK7FLT3KIT | |
| SCHEMBL4288116 | 0.72 | CHEK1 (0.61) | CHEK1KDRCDK7FLT3KIT | |
| SCHEMBL4294854 | 0.71 | KDR (0.80) | CHEK1KDRCDK7 | |
| SCHEMBL4290231 | 0.66 | CHEK1 (0.84) | CHEK1KDRCDK7 | |
| SCHEMBL12697202 | 0.63 | CHEK1 (0.51) | CHEK1 | |
| SCHEMBL4298879 | 0.62 | CHEK1 (1.00) | CHEK1KDRCDK7 | |
| SCHEMBL4301049 | 0.60 | CHEK1 (0.61) | CHEK1KDRCDK7 | |
| SCHEMBL4301046 | 0.60 | CHEK1 (0.72) | CHEK1KDRCDK7FLT3KIT | |
| SCHEMBL4298906 | 0.60 | CHEK1 (1.00) | CHEK1KDRCDK7 |
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 |