Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.71 |
| ▸ | LCK | P06239 | 4/20 | 0.71 |
| ▸ | KDR | P35968 | 11/20 | 0.70 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.60 |
| ▸ | GAK | O14976 | 1/20 | 0.60 |
| ▸ | STK10 | O94804 | 1/20 | 0.60 |
| ▸ | RET | P07949 | 1/20 | 0.60 |
| ▸ | FLT3 | P36888 | 1/20 | 0.60 |
| ▸ | JAK3 | P52333 | 1/20 | 0.60 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.60 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.60 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.60 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.60 |
| ▸ | RPS6KA6 | Q9UK32 | 1/20 | 0.60 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.60 |
| ▸ | CLK1 | P49759 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.60 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.59 |
| ▸ | FLT1 | P17948 | 1/20 | 0.57 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL28447259 | 0.92 | KDR (0.67) | EGFRLCKKDRRIPK2GAK | |
| SCHEMBL28439580 | 0.91 | EGFR (0.71) | EGFRLCKKDRRIPK2GAK | |
| SCHEMBL28897563 | 0.89 | KDR (0.73) | EGFRKDRGAKRETCLK1 | |
| SCHEMBL29428181 | 0.87 | EGFR (0.67) | EGFRLCKKDRRIPK2GAK | |
| SCHEMBL28444272 | 0.87 | EGFR (0.67) | EGFRLCKKDRRIPK2GAK | |
| SCHEMBL5472599 | 0.84 | EGFR (1.00) | EGFRLCKKDRRIPK2GAK | |
| Hydrochloric Acid SCHEMBL5479915 | 0.83 | EGFR (1.00) | EGFRLCKKDRRIPK2GAK | |
| SCHEMBL31067666 | 0.83 | KDR (1.00) | EGFRLCKKDRAURKAAURKB | |
| SCHEMBL28451851 | 0.81 | KDR (0.73) | EGFRKDRRETEPHB2FLT1 | |
| SCHEMBL28445421 | 0.81 | KDR (0.73) | EGFRKDRRET |
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 |