Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 6/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 6/20 | 0.32 |
| ▸ | CDK2 | P24941 | 4/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | HCK | P08631 | 2/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30309570 | 0.85 | CDK4 (0.32) | CDK4CDK6CDK2BRAFEGFR | |
| SCHEMBL22172170 | 0.85 | CDK4 (0.32) | CDK4CDK6CDK2BRAFEGFR | |
| SCHEMBL30309518 | 0.83 | RPS6KA3 (0.37) | RPS6KA3CDK4CDK6CDK2CDC7 | |
| SCHEMBL30632253 | 0.81 | PIK3CA (0.37) | RPS6KA3MAPK14BRAFCDC7ADORA2A | |
| SCHEMBL21344922 | 0.76 | CDK6 (0.43) | CDK4CDK6CDK2CDK1CDK9 | |
| SCHEMBL29402856 | 0.74 | CDK4 (0.55) | CDK4CDK6CDK2BRAFEGFR | |
| SCHEMBL16892106 | 0.74 | CDK4 (0.55) | CDK4CDK6CDK2BRAFEGFR | |
| SCHEMBL30818384 | 0.74 | CDK4 (0.55) | CDK4CDK6CDK2BRAFEGFR | |
| SCHEMBL29684604 | 0.71 | RPS6KA3 (0.43) | RPS6KA3MAPK14CDC7ADORA2AADORA1 | |
| SCHEMBL30309573 | 0.71 | NTRK1 (0.40) | RPS6KA3CDK4CDK6CDK2CDC7 |
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-111377907-B | Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof | 杭州百新生物医药科技有限公司 | 2023-03-28 | — | — | CN | disclosed |