Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 13/20 | 0.65 |
| ▸ | FLT1 | P17948 | 7/20 | 0.62 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.62 |
| ▸ | FLT4 | P35916 | 2/20 | 0.62 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.62 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.62 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.62 |
| ▸ | EGFR | P00533 | 7/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.57 |
| ▸ | EPHA2 | P29317 | 6/20 | 0.56 |
| ▸ | EPHB4 | P54760 | 5/20 | 0.56 |
| ▸ | RET | P07949 | 5/20 | 0.56 |
| ▸ | GAK | O14976 | 1/20 | 0.56 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.56 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.56 |
| ▸ | STK10 | O94804 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | YES1 | P07947 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL25476984 | 0.90 | EGFR (0.57) | KDRFLT1FGFR1FLT4FGFR2 | |
| SCHEMBL30459542 | 0.89 | EGFR (0.70) | KDRFLT1FGFR1FLT4EGFR | |
| SCHEMBL14843536 | 0.89 | EGFR (0.70) | KDRFLT1FGFR1FLT4EGFR | |
| SCHEMBL29453257 | 0.89 | EGFR (0.70) | KDRFLT1FGFR1FLT4EGFR | |
| SCHEMBL25488948 | 0.89 | EGFR (0.54) | KDRFLT1FGFR1FLT4FGFR2 | |
| Hydrochloric Acid SCHEMBL28257165 | 0.88 | EGFR (0.69) | KDRFLT1FGFR1FLT4EGFR | |
| SCHEMBL6018368 | 0.85 | EGFR (0.68) | KDRFLT1FGFR1FLT4EGFR | |
| SCHEMBL18012884 | 0.85 | EGFR (0.53) | KDRFLT1FGFR1FLT4FGFR2 | |
| SCHEMBL16212500 | 0.84 | KDR (0.57) | KDRFLT1FGFR1FLT4FGFR2 | |
| SCHEMBL22631259 | 0.84 | EGFR (0.58) | KDRFLT1EGFRERBB2EPHA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3733663-B1 | 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER | CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) | 2023-05-17 | — | — | EP | disclosed |