SCHEMBL6994510

SCHEMBL6994510

CCOc1ccc2c(Nc3ccc4cc[nH]c4c3)c(C#N)cnc2c1OCC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.51
EGFR P00533 5/20 0.45
ERBB2 P04626 5/20 0.45
SRC P12931 4/20 0.44
PRKCD Q05655 6/20 0.44
LYN P07948 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44

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
SCHEMBL6997780 0.87 MAPT (0.46) EGFRERBB2SRC
SCHEMBL2204868 0.84 EGFR (0.64) PRKCQEGFRERBB2SRC
SCHEMBL7003243 0.82 MAPT (0.48) EGFRERBB2SRC
SCHEMBL7002667 0.81 EGFR (0.46) EGFRERBB2SRC
SCHEMBL6991527 0.81 PRKCQ (0.50) PRKCQEGFRERBB2SRC
SCHEMBL6997292 0.81 EGFR (0.46) EGFRERBB2SRC
SCHEMBL6384516 0.80 EGFR (0.54) EGFRERBB2SRC
SCHEMBL7003514 0.80 PRKCQ (0.59) PRKCQEGFRERBB2SRCPRKCD
SCHEMBL6999979 0.80 EGFR (0.44) EGFRERBB2SRC
SCHEMBL6385221 0.80 STK4 (0.55) EGFRERBB2SRC

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