Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.44 |
| ▸ | SELP | P16109 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.43 |
| ▸ | WEE1 | P30291 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.43 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30512114 | 1.00 | EGFR (0.48) | EGFRMAPK1AURKAAURKBMAP3K5 | |
| SCHEMBL25880004 | 0.86 | SYK (0.45) | MAP3K5IGF1RMAP4K1TYRO3SYK | |
| SCHEMBL30512121 | 0.83 | BRAF (0.46) | EGFRMAP3K5MAP4K1AXL | |
| SCHEMBL25880000 | 0.83 | BRAF (0.46) | EGFRMAP3K5MAP4K1AXL | |
| SCHEMBL25879889 | 0.82 | HRH4 (0.50) | MAP3K5MAP4K1CDK2WEE1SYK | |
| SCHEMBL30512112 | 0.81 | MAP3K5 (0.54) | MAPK1AURKAMAP3K5CDK2SYK | |
| SCHEMBL25879550 | 0.81 | MAP3K5 (0.54) | MAPK1AURKAMAP3K5CDK2SYK | |
| SCHEMBL25880449 | 0.78 | HRH4 (0.53) | MAP3K5CCNA2CDK2AXL | |
| SCHEMBL25880130 | 0.77 | MAP4K1 (0.45) | MAP3K5MAP4K1 | |
| SCHEMBL30512136 | 0.77 | MAP3K5 (0.54) | MAPK1AURKAMAP3K5CDK2 |
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-2023138412-A1 | FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS | INSILICO MEDICINE IP LIMITED (CN) | 2023-07-27 | — | — | WO | disclosed |