SCHEMBL21569040

SCHEMBL21569040

N#Cc1cnc2c(NC(=O)/C=C/CN3CCOCC3)c(O[C@H]3CCOC3)ccc2c1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.59
▸ ERBB2 P04626 15/20 0.59
▸ ERBB4 Q15303 2/20 0.53
▸ JAK3 P52333 1/20 0.53

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
SCHEMBL21569004 0.96 EGFR (0.57) EGFRERBB2ERBB4JAK3
SCHEMBL14854799 0.91 EGFR (0.72) EGFRERBB2
SCHEMBL14854806 0.91 EGFR (0.72) EGFRERBB2
SCHEMBL14854804 0.91 EGFR (0.72) EGFRERBB2
SCHEMBL14854802 0.91 EGFR (0.72) EGFRERBB2
SCHEMBL21568968 0.90 EGFR (0.67) EGFRERBB2ERBB4JAK3
SCHEMBL21569100 0.90 EGFR (0.67) EGFRERBB2ERBB4JAK3
SCHEMBL21569086 0.90 EGFR (0.67) EGFRERBB2ERBB4JAK3
SCHEMBL21569010 0.89 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL21569035 0.89 EGFR (0.58) EGFRERBB2ERBB4JAK3

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
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP claimed
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