Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.60 |
| ▸ | SRC | P12931 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 2/20 | 0.55 |
| ▸ | RET | P07949 | 1/20 | 0.55 |
| ▸ | KIF5B | P33176 | 1/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | FLT1 | P17948 | 1/20 | 0.55 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.55 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30777160 | 0.85 | EGFR (0.62) | EGFRSRCKDRRETKIF5B | |
| Hydrochloric Acid SCHEMBL28342605 | 0.85 | EGFR (0.59) | EGFRSRCKCNH2KDRRET | |
| SCHEMBL10100955 | 0.85 | KDR (0.75) | EGFRKCNH2KDRRETKIF5B | |
| SCHEMBL28257189 | 0.83 | KDR (0.71) | EGFRKDRFLT1 | |
| SCHEMBL16016709 | 0.82 | EGFR (0.67) | EGFRKCNH2KDRRETKIF5B | |
| SCHEMBL2456254 | 0.81 | RET (0.72) | EGFRKDRRETKIF5BERBB2 | |
| SCHEMBL4448821 | 0.81 | EGFR (0.66) | EGFRKCNH2KDRRETKIF5B | |
| SCHEMBL202827 | 0.81 | EGFR (0.73) | EGFRKCNH2KDRRETKIF5B | |
| SCHEMBL21541701 | 0.81 | EGFR (0.66) | EGFRKCNH2KDRRETKIF5B | |
| SCHEMBL29781309 | 0.81 | EGFR (0.73) | EGFRKCNH2KDRRETKIF5B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022170052-A1 | QUINAZOLINE DERIVATIVES, PYRIDOPYRIMIDINE DERIVATIVES, PYRIMIDOPYRIMIDINE DERIVATIVES, AND USES THEREOF | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2022-08-11 | — | — | WO | disclosed |
| WO-2018121758-A1 | QUINAZOLINE COMPOUND FOR EGFR INHIBITION | 南京明德新药研发股份有限公司 | 2018-07-05 | — | — | WO | disclosed |