Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 9/20 | 0.51 |
| ▸ | CDK2 | P24941 | 5/20 | 0.47 |
| ▸ | ATR | Q13535 | 4/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | GAK | O14976 | 1/20 | 0.38 |
| ▸ | BUB1 | O43683 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | ULK1 | O75385 | 1/20 | 0.38 |
| ▸ | STK16 | O75716 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | LATS1 | O95835 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20649379 | 1.00 | FLT3 (0.51) | FLT3CDK2ATRCCNA2CCNE1 | |
| SCHEMBL20649059 | 0.93 | FLT3 (0.48) | FLT3CDK2ATRCCNA2HPGD | |
| SCHEMBL30183995 | 0.93 | FLT3 (0.48) | FLT3CDK2ATRCCNA2HPGD | |
| SCHEMBL20648981 | 0.93 | FLT3 (0.44) | FLT3CDK2ATRCCNA2CCNE1 | |
| SCHEMBL30183427 | 0.93 | FLT3 (0.44) | FLT3CDK2ATRCCNA2CCNE1 | |
| SCHEMBL20649281 | 0.92 | FLT3 (0.49) | FLT3CDK2ATRCCNA2AURKA | |
| SCHEMBL30183663 | 0.92 | FLT3 (0.42) | FLT3CDK2ATRCCNA2CCNE1 | |
| SCHEMBL30183517 | 0.92 | FLT3 (0.49) | FLT3CDK2ATRCCNA2AURKA | |
| SCHEMBL20649119 | 0.92 | FLT3 (0.42) | FLT3CDK2ATRCCNA2CCNE1 | |
| SCHEMBL20648960 | 0.91 | FLT3 (0.41) | FLT3CDK2ATRCCNA2CCNE1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |