Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 7/20 | 0.63 |
| ▸ | EGFR | P00533 | 11/20 | 0.62 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.62 |
| ▸ | DUS2 | Q9NX74 | 1/20 | 0.62 |
| ▸ | BTK | Q06187 | 1/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17675217 | 0.88 | KDR (0.63) | KDREGFRBTKERBB2AURKA | |
| SCHEMBL17675257 | 0.86 | EGFR (0.72) | KDREGFRERBB3DUS2BTK | |
| SCHEMBL30477187 | 0.79 | EGFR (0.58) | KDREGFRERBB3DUS2ERBB2 | |
| SCHEMBL29478966 | 0.77 | EGFR (1.00) | KDREGFRERBB3DUS2ERBB2 | |
| SCHEMBL21801932 | 0.77 | EGFR (1.00) | KDREGFRERBB3DUS2ERBB2 | |
| SCHEMBL29617536 | 0.77 | EGFR (1.00) | KDREGFRERBB3DUS2ERBB2 | |
| SCHEMBL15391099 | 0.76 | EGFR (0.75) | KDREGFRERBB3DUS2ERBB2 | |
| SCHEMBL17683762 | 0.75 | BTK (0.62) | KDREGFRBTKERBB2 | |
| SCHEMBL12069005 | 0.75 | SRC (0.82) | KDREGFRSRCAURKAAURKB | |
| SCHEMBL25214496 | 0.75 | EGFR (0.68) | KDREGFRERBB3DUS2ERBB2 |
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-2016055982-A1 | QUINOLINE AND QUINAZOLINE COMPOUNDS | ACERTA PHARMA B.V. (NL) | 2016-04-14 | — | — | WO | claimed |
| WO-2016055982-A1 | QUINOLINE AND QUINAZOLINE COMPOUNDS | ACERTA PHARMA B.V. (NL) | 2016-04-14 | — | — | WO | disclosed |