Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.54 |
| ▸ | EGFR | P00533 | 7/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.46 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28996874 | 0.86 | EGFR (0.62) | MAP4K1EGFRPTK2 | |
| SCHEMBL29833077 | 0.86 | EGFR (0.62) | MAP4K1EGFRPTK2 | |
| SCHEMBL30429476 | 0.84 | PTK2 (0.48) | KDRAURKBPTK2CHEK1FLT3 | |
| SCHEMBL29190521 | 0.84 | PTK2 (0.56) | EGFRKDRAURKBPTK2FLT3 | |
| SCHEMBL28996964 | 0.83 | MAP4K1 (0.53) | MAP4K1EGFRKDRAURKBPTK2 | |
| SCHEMBL30833740 | 0.82 | PTK2 (0.50) | KDRAURKBPTK2CHEK1FLT3 | |
| SCHEMBL30833667 | 0.82 | KDR (0.48) | KDRAURKBPTK2CHEK1FLT3 | |
| SCHEMBL30860863 | 0.81 | LRRK2 (0.61) | CHEK1FLT3JAK2ULK1 | |
| SCHEMBL27228258 | 0.81 | LRRK2 (0.61) | CHEK1FLT3JAK2ULK1 | |
| SCHEMBL31251206 | 0.80 | EGFR (0.63) | MAP4K1EGFRPTK2 |
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-116082399-A | Condensed ring-2-aminopyrimidine compound, and composition and application thereof | 浙江大学智能创新药物研究院 | 2023-05-09 | — | — | CN | disclosed |