SCHEMBL6992049

SCHEMBL6992049

COc1ccc2c(Nc3ccc(Sc4nc(C)cc(C)n4)c(Cl)c3)c(C#N)cnc2c1OC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.51
EGFR P00533 6/20 0.50
ERBB2 P04626 5/20 0.50
SRC P12931 3/20 0.49
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL6386083 0.86 IGF1R (0.53) IGF1REGFRERBB2SRCMAP2K1
SCHEMBL6997884 0.86 MAP2K1 (0.63) IGF1REGFRERBB2SRCMAP2K1
SCHEMBL4450579 0.85 EGFR (0.70) IGF1REGFRERBB2SRCMAP2K1
SCHEMBL6379771 0.84 SRC (0.61) EGFRERBB2SRCMAP2K1
SCHEMBL7000625 0.84 MAP2K1 (0.53) IGF1REGFRERBB2MAP2K1
SCHEMBL6384318 0.84 EGFR (0.70) EGFRERBB2SRCMAP2K1
SCHEMBL6382227 0.83 EGFR (0.70) EGFRERBB2SRCMAP2K1
SCHEMBL7000398 0.83 IGF1R (0.75) IGF1REGFRERBB2MAP2K1
SCHEMBL6995272 0.82 MAP2K1 (0.50) IGF1REGFRERBB2MAP2K1
SCHEMBL6386079 0.81 EGFR (0.67) EGFRERBB2SRCMAP2K1

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