Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 9/20 | 0.51 |
| ▸ | AURKA | O14965 | 5/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.50 |
| ▸ | EGFR | P00533 | 3/20 | 0.50 |
| ▸ | LCK | P06239 | 2/20 | 0.50 |
| ▸ | GAK | O14976 | 1/20 | 0.50 |
| ▸ | BUB1 | O43683 | 1/20 | 0.50 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.50 |
| ▸ | ULK1 | O75385 | 1/20 | 0.50 |
| ▸ | STK16 | O75716 | 1/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.50 |
| ▸ | LATS1 | O95835 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | YES1 | P07947 | 1/20 | 0.50 |
| ▸ | LYN | P07948 | 1/20 | 0.50 |
| ▸ | RET | P07949 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20649258 | 1.00 | CDK2 (0.51) | CDK2AURKACCNA2DYRK1AEGFR | |
| SCHEMBL20649379 | 0.88 | FLT3 (0.51) | CDK2AURKACCNA2DYRK1AEGFR | |
| SCHEMBL30183993 | 0.88 | FLT3 (0.51) | CDK2AURKACCNA2DYRK1AEGFR | |
| SCHEMBL30183109 | 0.87 | PRKCI (0.39) | CDK2AURKACCNA2DYRK1AEGFR | |
| SCHEMBL20648989 | 0.87 | PRKCI (0.39) | CDK2AURKACCNA2DYRK1AEGFR | |
| SCHEMBL20649197 | 0.87 | PDGFRB (0.41) | CDK2AURKACCNA2PDGFRBCDK4 | |
| SCHEMBL30183938 | 0.85 | RARA (0.44) | CDK2AURKACCNA2PDGFRBCDK4 | |
| SCHEMBL20648961 | 0.85 | RARA (0.44) | CDK2AURKACCNA2PDGFRBCDK4 | |
| SCHEMBL20649077 | 0.85 | ATR (0.49) | CDK2AURKADYRK1ACDK1AURKB | |
| SCHEMBL30183541 | 0.85 | ATR (0.49) | CDK2AURKADYRK1ACDK1AURKB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | claimed |
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | disclosed |