SCHEMBL6999979

SCHEMBL6999979

CCOc1ccc2c(Nc3ccc4c(c3)NCC4)c(C#N)cnc2c1OCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.44
ERBB2 P04626 6/20 0.44
SRC P12931 2/20 0.43
STK4 Q13043 10/20 0.42
STK3 Q13188 1/20 0.41
MAP2K1 Q02750 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL6989870 0.87 EGFR (0.49) EGFRERBB2SRCMAP2K1
SCHEMBL6991527 0.85 PRKCQ (0.50) EGFRERBB2SRCSTK4STK3
SCHEMBL4448819 0.84 EGFR (0.62) EGFRERBB2SRCSTK4MAP2K1
SCHEMBL6997455 0.82 MAP2K1 (0.42) EGFRERBB2SRCSTK4MAP2K1
SCHEMBL6994510 0.80 PRKCQ (0.51) EGFRERBB2SRC
SCHEMBL6997292 0.80 EGFR (0.46) EGFRERBB2SRCSTK4STK3
SCHEMBL7002667 0.80 EGFR (0.46) EGFRERBB2SRCSTK4STK3
SCHEMBL6999201 0.79 EGFR (0.44) EGFRERBB2SRCSTK4STK3
SCHEMBL6384516 0.79 EGFR (0.54) EGFRERBB2SRCSTK4MAP2K1
SCHEMBL6385221 0.79 STK4 (0.55) EGFRERBB2SRCSTK4MAP2K1

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed