Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 15/20 | 0.59 |
| ▸ | CCND1 | P24385 | 7/20 | 0.59 |
| ▸ | PIM1 | P11309 | 4/20 | 0.59 |
| ▸ | DYRK2 | Q92630 | 5/20 | 0.55 |
| ▸ | CDK4 | P11802 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966459 | 0.97 | CDK6 (0.62) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966333 | 0.89 | CDK6 (0.55) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966573 | 0.88 | CDK6 (0.64) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966302 | 0.88 | CDK6 (0.66) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966599 | 0.87 | CDK6 (0.55) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966593 | 0.87 | CDK6 (0.57) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966605 | 0.86 | CDK6 (0.57) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966528 | 0.85 | CDK6 (0.53) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL17488721 | 0.85 | CDK6 (0.62) | CDK6CCND1PIM1DYRK2CDK4 | |
| SCHEMBL19966576 | 0.85 | CDK6 (0.52) | CDK6CCND1PIM1DYRK2CDK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |