SCHEMBL21569027

SCHEMBL21569027

N#Cc1cnc2c(N3CCCCC3)c(OC3CCOC3)ccc2c1Nc1ccc(OCc2ccccn2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.51
▸ ERBB2 P04626 6/20 0.51
▸ STK3 Q13188 6/20 0.50
▸ STK4 Q13043 4/20 0.50
▸ BTK Q06187 1/20 0.47
▸ SRC P12931 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL14855119 0.88 STK3 (0.57) EGFRERBB2STK3STK4BTK
SCHEMBL21568987 0.84 STK3 (0.60) EGFRERBB2STK3STK4BTK
SCHEMBL21569018 0.84 EGFR (0.57) EGFRERBB2STK3STK4BTK
SCHEMBL21568986 0.83 EGFR (0.53) EGFRERBB2STK3STK4BTK
SCHEMBL21569029 0.83 STK4 (0.61) EGFRERBB2STK3STK4BTK
SCHEMBL21568985 0.83 EGFR (0.64) EGFRERBB2STK3STK4BTK
SCHEMBL14855006 0.82 STK3 (0.61) EGFRERBB2STK3STK4BTK
SCHEMBL14855241 0.82 STK3 (0.63) EGFRERBB2STK3STK4BTK
SCHEMBL21568982 0.82 EGFR (0.55) EGFRERBB2STK3STK4BTK
SCHEMBL21568992 0.82 EGFR (0.55) EGFRERBB2STK3STK4BTK

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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