Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 14/20 | 0.56 |
| ▸ | JUN | P05412 | 8/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 8/20 | 0.56 |
| ▸ | MAPK9 | P45984 | 8/20 | 0.56 |
| ▸ | MAPK10 | P53779 | 7/20 | 0.56 |
| ▸ | CDK9 | P50750 | 10/20 | 0.51 |
| ▸ | CDK7 | P50613 | 9/20 | 0.51 |
| ▸ | CCNH | P51946 | 9/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.51 |
| ▸ | MNAT1 | P51948 | 6/20 | 0.51 |
| ▸ | CCNK | O75909 | 8/20 | 0.50 |
| ▸ | CDK12 | Q9NYV4 | 8/20 | 0.50 |
| ▸ | CDK13 | Q14004 | 7/20 | 0.50 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28540423 | 0.87 | CDK2 (0.60) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL28545899 | 0.83 | EGFR (0.39) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL28544547 | 0.82 | CDK2 (0.72) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL28544549 | 0.82 | CDK2 (0.72) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL16655453 | 0.79 | CDK2 (0.58) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL23181610 | 0.78 | CDK2 (0.75) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL18045074 | 0.77 | CDK7 (0.83) | CDK2MAPK8MAPK9CDK9CDK7 | |
| SCHEMBL16664885 | 0.77 | CDK7 (0.83) | CDK2MAPK8MAPK9CDK9CDK7 | |
| SCHEMBL20041396 | 0.77 | CDK7 (0.75) | CDK2MAPK8MAPK9CDK9CDK7 | |
| SCHEMBL28544825 | 0.74 | EGFR (0.57) | CDK2MAPK8MAPK9CDK9CDK7 |
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-112574255-A | Organic arsine-based CDK inhibitor and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-03-30 | — | — | CN | disclosed |