Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6511926 | 0.85 | CHEK1 (0.69) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6510590 | 0.84 | CHEK1 (0.70) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6525309 | 0.83 | CHEK1 (0.68) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6523666 | 0.81 | CHEK1 (0.66) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6511021 | 0.81 | CHEK1 (0.66) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6516673 | 0.81 | CHEK1 (0.64) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6517995 | 0.80 | CHEK1 (0.63) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6523061 | 0.79 | CHEK1 (0.60) | CHEK1 | |
| SCHEMBL6518147 | 0.79 | CHEK1 (0.77) | CHEK1KCNH2AURKAKDRAURKB | |
| SCHEMBL6508146 | 0.79 | CHEK1 (0.77) | CHEK1KCNH2AURKAKDRAURKB |
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 |