Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6519358 | 0.85 | AKT1 (0.46) | CHEK1PLK1 | |
| SCHEMBL6518373 | 0.82 | AURKA (0.47) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6514411 | 0.81 | PLK1 (0.51) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6515626 | 0.81 | PLK1 (0.49) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6508656 | 0.81 | AURKA (0.53) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6523103 | 0.79 | CHEK1 (0.55) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6518967 | 0.79 | CHEK1 (0.51) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6512223 | 0.79 | CHEK1 (0.51) | CHEK1CNR2AURKAKDRAURKB | |
| SCHEMBL6513772 | 0.77 | AKT1 (0.46) | PLK1 | |
| SCHEMBL6521419 | 0.77 | PLK1 (0.43) | CHEK1CNR2AURKAKDRAURKB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005028474-A2 | PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |