Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 19/20 | 0.81 |
| ▸ | AURKA | O14965 | 12/20 | 0.81 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.80 |
| ▸ | CDK4 | P11802 | 5/20 | 0.80 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.80 |
| ▸ | GAK | O14976 | 1/20 | 0.80 |
| ▸ | BUB1 | O43683 | 1/20 | 0.80 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.80 |
| ▸ | ULK1 | O75385 | 1/20 | 0.80 |
| ▸ | STK16 | O75716 | 1/20 | 0.80 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.80 |
| ▸ | LATS1 | O95835 | 1/20 | 0.80 |
| ▸ | ABL1 | P00519 | 1/20 | 0.80 |
| ▸ | EGFR | P00533 | 1/20 | 0.80 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.80 |
| ▸ | LCK | P06239 | 1/20 | 0.80 |
| ▸ | FYN | P06241 | 1/20 | 0.80 |
| ▸ | CDK1 | P06493 | 1/20 | 0.80 |
| ▸ | YES1 | P07947 | 1/20 | 0.80 |
| ▸ | LYN | P07948 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL13852057 | 0.91 | CDK2 (0.85) | CDK2AURKACCNA2CDK4CDK6 | |
| Potassium SCHEMBL4155030 | 0.90 | CDK2 (0.84) | CDK2AURKACCNA2CDK4CDK6 | |
| SCHEMBL4155017 | 0.90 | CDK2 (0.84) | CDK2AURKACCNA2CDK4CDK6 | |
| SCHEMBL4169115 | 0.90 | CDK2 (1.00) | CDK2AURKACCNA2CDK4CDK6 | |
| SCHEMBL4154141 | 0.89 | CDK2 (0.79) | CDK2AURKACCNA2CDK4CDK6 | |
| Milciclib SCHEMBL619139 | 0.89 | CDK2 (1.00) | CDK2AURKACCNA2CDK4CDK6 | |
| Potassium Ion SCHEMBL31326946 | 0.89 | CDK2 (0.82) | CDK2AURKACCNA2CDK4CDK6 | |
| Potassium Ion SCHEMBL4155023 | 0.89 | CDK2 (0.82) | CDK2AURKACCNA2CDK4CDK6 | |
| Milciclib SCHEMBL4149977 | 0.88 | CDK2 (0.98) | CDK2AURKACCNA2CDK4CDK6 | |
| Milciclib SCHEMBL29435042 | 0.85 | CDK2 (0.91) | CDK2AURKACCNA2CDK4CDK6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9464090-B2 | Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2016-10-11 | — | — | US | disclosed |
| US-8586598-B2 | CDK inhibitor salts | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2013-11-19 | — | — | US | disclosed |