Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.67 |
| ▸ | EGFR | P00533 | 10/20 | 0.67 |
| ▸ | RET | P07949 | 2/20 | 0.67 |
| ▸ | LCK | P06239 | 1/20 | 0.65 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.60 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.58 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.57 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29428175 | 1.00 | KDR (0.67) | KDREGFRRETLCKAURKB | |
| SCHEMBL29428177 | 0.91 | KDR (0.63) | KDREGFRRETLCKRIPK2 | |
| SCHEMBL28441304 | 0.91 | KDR (0.63) | KDREGFRRETLCKRIPK2 | |
| SCHEMBL29428181 | 0.91 | EGFR (0.67) | KDREGFRRETLCKRIPK2 | |
| SCHEMBL28444272 | 0.91 | EGFR (0.67) | KDREGFRRETLCKRIPK2 | |
| SCHEMBL28438498 | 0.91 | KDR (0.69) | KDREGFRRETMAPK14EPHB2 | |
| SCHEMBL29428187 | 0.91 | KDR (0.69) | KDREGFRRETMAPK14EPHB2 | |
| SCHEMBL28439580 | 0.87 | EGFR (0.71) | KDREGFRRETLCKAURKB | |
| SCHEMBL29428182 | 0.87 | KDR (0.69) | KDREGFRRETMAPK14 | |
| SCHEMBL28436950 | 0.87 | KDR (0.69) | KDREGFRRETMAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111499583-B | Quinazoline derivative and application thereof as antitumor drug | 沈阳工业大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-111499583-A | Quinazoline derivative and application thereof as antitumor drug | 沈阳工业大学 | 2020-08-07 | — | — | CN | disclosed |