SCHEMBL28801418

SCHEMBL28801418

N#Cc1cnc2cc(OC3CCOC3)c(NC(=O)/C=C/CNN)cc2c1Nc1ccc(OCc2ccccc2Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.63
▸ ERBB2 P04626 19/20 0.63
▸ SRC P12931 2/20 0.56
▸ KDR P35968 2/20 0.56
▸ STK25 O00506 1/20 0.54
▸ MAP2K7 O14733 1/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ EPHB6 O15197 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ MAP3K13 O43283 1/20 0.54
▸ NUAK1 O60285 1/20 0.54
▸ STK17B O94768 1/20 0.54
▸ STK10 O94804 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ INSR P06213 1/20 0.54

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
SCHEMBL27911178 0.97 EGFR (0.59) EGFRERBB2SRCKDR
SCHEMBL27893941 0.95 EGFR (0.65) EGFRERBB2SRCKDR
SCHEMBL27911107 0.94 EGFR (0.66) EGFRERBB2
SCHEMBL27893964 0.92 EGFR (0.63) EGFRERBB2
SCHEMBL27893965 0.91 EGFR (0.64) EGFRERBB2
SCHEMBL14854916 0.91 EGFR (0.77) EGFRERBB2SRCKDRSTK25
SCHEMBL14854761 0.91 EGFR (0.77) EGFRERBB2SRCKDRSTK25
SCHEMBL14854762 0.91 EGFR (0.77) EGFRERBB2SRCKDRSTK25
SCHEMBL14854917 0.91 EGFR (0.77) EGFRERBB2SRCKDRSTK25
SCHEMBL27911104 0.91 EGFR (0.65) EGFRERBB2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933578-A Cyanoquinoline derivatives TIANJIN HEMAY BIO TECH CO LTD 2013-02-13 — — CN claimed
CN-102933578-A Cyanoquinoline derivatives TIANJIN HEMAY BIO TECH CO LTD 2013-02-13 — — CN disclosed
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