SCHEMBL28804928

SCHEMBL28804928

C=CC(=O)Nc1cc2c(Nc3ccc(Oc4ccccn4)c(Cl)c3)c(C#N)cnc2cc1OC1CCOC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.63
▸ ERBB2 P04626 6/20 0.54
▸ SRC P12931 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ BTK Q06187 1/20 0.49
▸ STK3 Q13188 1/20 0.49

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
SCHEMBL27893921 0.93 EGFR (0.55) EGFRERBB2SRCKDRBTK
SCHEMBL27911181 0.92 STK3 (0.59) EGFRERBB2SRCKDRBTK
SCHEMBL27894009 0.91 EGFR (0.56) EGFRERBB2SRCKDRBTK
SCHEMBL27893984 0.91 EGFR (0.51) EGFRERBB2SRCKDRBTK
SCHEMBL27893963 0.90 EGFR (0.52) EGFRERBB2SRCKDRBTK
SCHEMBL14854997 0.90 EGFR (0.76) EGFRERBB2SRCKDRBTK
SCHEMBL27893924 0.90 STK4 (0.62) EGFRERBB2SRCKDRSTK3
SCHEMBL27893927 0.90 EGFR (0.55) EGFRERBB2SRCKDRBTK
SCHEMBL27893988 0.88 EGFR (0.51) EGFRERBB2SRCKDRBTK
SCHEMBL27911117 0.87 EGFR (0.52) EGFRERBB2SRCKDRBTK

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