SCHEMBL21568987

SCHEMBL21568987

CC(=O)Nc1c(OC2CCOC2)ccc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c(C#N)cnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK3 Q13188 8/20 0.60
▸ STK4 Q13043 6/20 0.54
▸ EGFR P00533 12/20 0.54
▸ ERBB2 P04626 5/20 0.52
▸ SRC P12931 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ BTK Q06187 2/20 0.50
▸ STK25 O00506 1/20 0.49
▸ MAP2K7 O14733 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ EPHB6 O15197 1/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ MAP3K13 O43283 1/20 0.49
▸ NUAK1 O60285 1/20 0.49
▸ STK17B O94768 1/20 0.49
▸ STK10 O94804 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ MAP4K4 O95819 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
SCHEMBL21569029 0.94 STK4 (0.61) STK3STK4EGFRERBB2SRC
SCHEMBL21568982 0.93 EGFR (0.55) STK3STK4EGFRERBB2SRC
SCHEMBL21568992 0.93 EGFR (0.55) STK3STK4EGFRERBB2SRC
SCHEMBL21568986 0.92 EGFR (0.53) STK3STK4EGFRERBB2SRC
SCHEMBL21568985 0.92 EGFR (0.64) STK3STK4EGFRERBB2SRC
SCHEMBL21568971 0.89 EGFR (0.67) STK3STK4EGFRERBB2SRC
SCHEMBL21569007 0.89 EGFR (0.67) STK3STK4EGFRERBB2SRC
SCHEMBL21568966 0.89 EGFR (0.67) STK3STK4EGFRERBB2SRC
SCHEMBL14855103 0.89 STK3 (0.75) STK3STK4EGFRERBB2SRC
SCHEMBL21569005 0.89 EGFR (0.53) STK3STK4EGFRERBB2SRC

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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