SCHEMBL6188022

SCHEMBL6188022

COCCOc1ccc2c(Nc3ccc(C)cc3C)c(C#N)cnc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.49
PRKCQ Q04759 1/20 0.49
ABL1 P00519 1/20 0.49
ABL2 P42684 1/20 0.49
EGFR P00533 3/20 0.43
ERBB2 P04626 3/20 0.43

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
SCHEMBL6186132 0.90 SRC (0.59) SRCABL1ABL2EGFRERBB2
SCHEMBL6184586 0.86 SRC (0.52) SRCABL1ABL2EGFRERBB2
SCHEMBL6185291 0.84 SRC (0.70) SRCPRKCQABL1ABL2
SCHEMBL6187804 0.83 SRC (0.62) SRCPRKCQABL1ABL2
SCHEMBL6183312 0.83 SRC (0.73) SRCPRKCQABL1ABL2EGFR
SCHEMBL6185071 0.82 SRC (0.71) SRCEGFRERBB2
SCHEMBL6186103 0.82 SRC (0.70) SRCABL1
SCHEMBL6185380 0.82 SRC (0.72) SRCABL1ABL2EGFRERBB2
SCHEMBL6184673 0.81 SRC (0.60) SRCABL1ABL2
SCHEMBL6384502 0.81 SRC (0.53) SRCPRKCQABL1ABL2EGFR

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-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed