Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.80 |
| ▸ | CDK6 | Q00534 | 18/20 | 0.80 |
| ▸ | CDK2 | P24941 | 14/20 | 0.80 |
| ▸ | CDK1 | P06493 | 14/20 | 0.80 |
| ▸ | CDK7 | P50613 | 7/20 | 0.80 |
| ▸ | CDK9 | P50750 | 7/20 | 0.80 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.80 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.80 |
| ▸ | CCND3 | P30281 | 5/20 | 0.80 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.80 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.80 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.80 |
| ▸ | EGFR | P00533 | 2/20 | 0.80 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.80 |
| ▸ | BRAF | P15056 | 2/20 | 0.80 |
| ▸ | KDR | P35968 | 2/20 | 0.80 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.80 |
| ▸ | CCNH | P51946 | 2/20 | 0.80 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.80 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL29443169 | 1.00 | CDK4 (0.80) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL21658862 | 0.94 | CDK4 (0.78) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL29443148 | 0.94 | CDK4 (0.78) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL17489239 | 0.93 | CDK4 (0.77) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL21658994 | 0.93 | CDK4 (0.77) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL17489277 | 0.93 | CDK4 (0.77) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL29443162 | 0.92 | CDK4 (0.75) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL17488674 | 0.91 | CDK4 (0.79) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL17489262 | 0.91 | CDK4 (0.80) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL21658737 | 0.91 | CDK4 (0.85) | CDK4CDK6CDK2CDK1CDK7 |
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-2020023917-A1 | CDK INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-01-30 | — | — | WO | disclosed |