Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.37 |
| ▸ | SGK1 | O00141 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.35 |
| ▸ | BMPR1A | P36894 | 2/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL20649198 | 1.00 | ATR (0.44) | ATRCHEK1SMN1; SMN2TTKEIF2AK3 | |
| SCHEMBL20649055 | 0.97 | ATR (0.43) | ATRSMN1; SMN2TTKEIF2AK3AXL | |
| SCHEMBL30183118 | 0.97 | ATR (0.43) | ATRSMN1; SMN2TTKEIF2AK3AXL | |
| SCHEMBL20649010 | 0.94 | ATR (0.40) | ATRSMN1; SMN2TTKEIF2AK3AURKA | |
| SCHEMBL30183571 | 0.94 | ATR (0.40) | ATRSMN1; SMN2TTKEIF2AK3AURKA | |
| SCHEMBL20649357 | 0.94 | ATR (0.40) | ATRSMN1; SMN2TTKEIF2AK3KDR | |
| SCHEMBL30183165 | 0.94 | ATR (0.40) | ATRSMN1; SMN2TTKEIF2AK3KDR | |
| SCHEMBL30183431 | 0.93 | KIT (0.41) | ATRSMN1; SMN2TTKEIF2AK3KDR | |
| SCHEMBL20649043 | 0.93 | KIT (0.41) | ATRSMN1; SMN2TTKEIF2AK3KDR | |
| SCHEMBL20649077 | 0.91 | ATR (0.49) | ATRTTKEIF2AK3AURKAKDR |
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 |