SCHEMBL27893950

SCHEMBL27893950

N#Cc1cnc2cc(OC3CCOC3)c(OCCO)cc2c1Nc1ccc(Oc2ccccn2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 5/20 0.48
▸ EGFR P00533 9/20 0.46
▸ ERBB2 P04626 6/20 0.46
▸ STK3 Q13188 3/20 0.46
▸ STK4 Q13043 3/20 0.46
▸ RAF1 P04049 2/20 0.44
▸ SRC P12931 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL27893975 0.90 EGFR (0.48) MAP2K1EGFRERBB2STK3STK4
SCHEMBL27911215 0.88 STK3 (0.47) MAP2K1EGFRERBB2STK3STK4
SCHEMBL15222012 0.87 STK3 (0.58) MAP2K1EGFRERBB2STK3STK4
SCHEMBL27911236 0.86 STK3 (0.45) MAP2K1EGFRERBB2STK3STK4
SCHEMBL27911181 0.85 STK3 (0.59) EGFRERBB2STK3STK4SRC
SCHEMBL27893924 0.85 STK4 (0.62) EGFRERBB2STK3STK4SRC
SCHEMBL27893982 0.85 EGFR (0.45) MAP2K1EGFRERBB2STK3STK4
SCHEMBL27893984 0.84 EGFR (0.51) EGFRERBB2STK3STK4SRC
SCHEMBL28804928 0.84 EGFR (0.63) EGFRERBB2STK3SRC
SCHEMBL14854679 0.83 STK3 (0.60) MAP2K1EGFRERBB2STK3STK4

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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