SCHEMBL21569085

SCHEMBL21569085

C#Cc1cccc(Nc2c(C#N)cnc3c(NC(=O)/C=C/CNCCCCCCO)c(O[C@H]4CCOC4)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.50
▸ ERBB2 P04626 6/20 0.41
▸ GAK O14976 1/20 0.38

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
SCHEMBL14856970 0.90 EGFR (0.62) EGFRERBB2
SCHEMBL14856968 0.90 EGFR (0.62) EGFRERBB2
SCHEMBL14856971 0.90 EGFR (0.62) EGFRERBB2
SCHEMBL14856972 0.90 EGFR (0.62) EGFRERBB2
SCHEMBL21569093 0.88 EGFR (0.53) EGFRERBB2GAK
SCHEMBL21569078 0.86 EGFR (0.63) EGFRERBB2
SCHEMBL21569094 0.86 EGFR (0.63) EGFRERBB2
SCHEMBL21569062 0.84 EGFR (0.51) EGFRERBB2GAK
SCHEMBL14864911 0.82 EGFR (0.52) EGFRERBB2GAK
SCHEMBL14855206 0.80 EGFR (0.62) 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 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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