SCHEMBL6997074

SCHEMBL6997074

COc1ccc2c(Nc3ccc(Cl)cc3N)c(C#N)cnc2c1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.56
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
EGFR P00533 3/20 0.54
ERBB2 P04626 3/20 0.54
PRKCQ Q04759 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
SCHEMBL6384135 0.90 SRC (0.60) SRCABL1BCREGFRERBB2
SCHEMBL6383157 0.89 SRC (0.57) SRCABL1BCREGFRERBB2
SCHEMBL6387094 0.88 SRC (0.70) SRCABL1BCREGFRERBB2
SCHEMBL6384073 0.86 EGFR (0.70) SRCABL1BCREGFRERBB2
SCHEMBL6382110 0.86 SRC (0.50) SRCABL1BCREGFRERBB2
SCHEMBL5254965 0.84 SRC (0.67) SRCABL1BCREGFRERBB2
SCHEMBL6381779 0.83 SRC (0.57) SRCABL1BCREGFRERBB2
SCHEMBL4450581 0.82 SRC (0.80) SRCABL1BCREGFRERBB2
SCHEMBL6382122 0.82 EGFR (0.69) SRCEGFRERBB2PRKCQ
SCHEMBL6380340 0.81 SRC (0.69) SRCABL1BCREGFRERBB2

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