Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 19/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.37 |
| ▸ | CDK4 | P11802 | 4/20 | 0.37 |
| ▸ | CCND3 | P30281 | 3/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.37 |
| ▸ | AURKA | O14965 | 14/20 | 0.36 |
| ▸ | GAK | O14976 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | STK16 | O75716 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | LATS1 | O95835 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | YES1 | P07947 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20648965 | 0.92 | CDK2 (0.38) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL20649323 | 0.92 | CDK2 (0.37) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL20649300 | 0.85 | CDK2 (0.36) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL20648930 | 0.81 | CDK4 (0.30) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL20649144 | 0.78 | CDK2 (0.46) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL30183501 | 0.78 | GCK (0.39) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL20649154 | 0.78 | GCK (0.39) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL20649094 | 0.74 | — | — | |
| SCHEMBL20649409 | 0.71 | CDK2 (0.36) | CDK2CCNA2CDK4CCND3CDK6 | |
| SCHEMBL30183884 | 0.71 | CDK2 (0.36) | CDK2CCNA2CDK4CCND3CDK6 |
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-2019011715-A1 | PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2019-01-17 | — | — | WO | disclosed |