SCHEMBL29428180

SCHEMBL29428180

COc1cc2ncnc(Nc3ccc(C)cc3C)c2cc1OCC(=O)N(C)C

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.73
▸ EGFR P00533 12/20 0.59

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29428176 0.91 KDR (0.60) KDREGFR
SCHEMBL29428186 0.87 KDR (0.67) KDREGFR
SCHEMBL27109251 0.85 KDR (1.00) KDREGFR
SCHEMBL29428184 0.83 KDR (0.73) KDREGFR
SCHEMBL29428179 0.81 EGFR (0.71) KDREGFR
SCHEMBL19220783 0.79 HDAC3 (0.67) KDREGFR
SCHEMBL29624356 0.79 EGFR (0.67) KDREGFR
SCHEMBL28445421 0.79 KDR (0.73) KDREGFR
SCHEMBL29428178 0.79 KDR (0.73) KDREGFR
SCHEMBL29428174 0.79 KDR (0.69) KDREGFR

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499583-B Quinazoline derivative and application thereof as antitumor drug 沈阳工业大学 2022-02-15 — — CN disclosed
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