SCHEMBL6997301

SCHEMBL6997301

COc1cccc2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.58
EGFR P00533 6/20 0.52
ERBB2 P04626 5/20 0.52
ABL1 P00519 3/20 0.47
BCR P11274 3/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 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
SCHEMBL6381846 0.86 SRC (0.57) SRCEGFRERBB2ABL1BCR
SCHEMBL6382681 0.85 SRC (0.62) SRCEGFRERBB2ABL1BCR
SCHEMBL6382448 0.85 SRC (0.71) SRCEGFRERBB2ABL1BCR
SCHEMBL6379594 0.83 SRC (0.83) SRCEGFRERBB2ABL1BCR
SCHEMBL6382299 0.80 SRC (0.67) SRCEGFRERBB2ABL1BCR
SCHEMBL6380643 0.80 SRC (0.67) SRCEGFRERBB2ABL1BCR
SCHEMBL6382190 0.79 EGFR (0.54) SRCEGFRERBB2RAF1
SCHEMBL6381997 0.79 SRC (0.48) SRCEGFRERBB2
SCHEMBL6384206 0.79 SRC (0.49) SRCEGFRERBB2
SCHEMBL6381747 0.78 EGFR (0.58) SRCEGFRERBB2RAF1

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-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed