SCHEMBL21573300

SCHEMBL21573300

C#Cc1cccc(Nc2c(C#N)cnc3cc(O)c(NC(=O)/C=C/CNCCCCCCO)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.49
▸ ERBB2 P04626 14/20 0.48
▸ GAK O14976 1/20 0.47

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
SCHEMBL14864911 0.88 EGFR (0.52) EGFRERBB2GAK
SCHEMBL14864924 0.86 EGFR (0.55) EGFRERBB2GAK
SCHEMBL14864912 0.85 EGFR (0.66) EGFRERBB2GAK
SCHEMBL14856970 0.85 EGFR (0.62) EGFRERBB2
SCHEMBL14856972 0.85 EGFR (0.62) EGFRERBB2
SCHEMBL14856968 0.85 EGFR (0.62) EGFRERBB2
SCHEMBL14856971 0.85 EGFR (0.62) EGFRERBB2
SCHEMBL14864938 0.83 EGFR (0.59) EGFRERBB2GAK
SCHEMBL14864919 0.81 EGFR (0.66) EGFRERBB2
SCHEMBL18933463 0.80 EGFR (0.67) EGFRERBB2GAK

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 disclosed
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