Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL747022 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL261996 | 0.77 | NQO2 (0.31) | — | |
| SCHEMBL16758731 | 0.77 | TDP1 (0.46) | TDP1CA12CA1CA9CYP3A4 | |
| SCHEMBL19208027 | 0.76 | ACHE (0.39) | TDP1CYP3A4MAPT | |
| SCHEMBL3932720 | 0.76 | ALDH1A1 (0.43) | TDP1CA1CYP3A4MAPT | |
| SCHEMBL28984673 | 0.75 | — | — | |
| SCHEMBL28978490 | 0.74 | CA2 (0.31) | — | |
| SCHEMBL2347540 | 0.74 | — | — | |
| SCHEMBL19208032 | 0.74 | ALOX15 (0.39) | TDP1CYP3A4MAPT | |
| SCHEMBL19208034 | 0.74 | ERN1 (0.35) | TDP1CYP3A4MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108601781-B | As the 3,5- disubstituted pyrazole of test point kinases 1 (CHK1) inhibitor and its preparation and application | 广州必贝特医药技术有限公司 | 2019-11-22 | — | — | CN | disclosed |
| EP-3411036-A1 | 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS | Pharmaengine, Inc. (TW) | 2018-12-12 | — | — | EP | disclosed |
| WO-2017132928-A1 | 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS | PHARMAENGINE, INC. (CN) | 2017-08-10 | — | — | WO | disclosed |