SCHEMBL6184481

SCHEMBL6184481

COc1cc(Nc2c(C#N)cnc3c(OC)c(SCc4ccccc4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.58
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54

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
SCHEMBL6183434 0.89 SRC (0.58) SRCABL1BCR
SCHEMBL6182278 0.87 SRC (0.60) SRCABL1BCR
SCHEMBL6184477 0.85 SRC (0.69) SRCABL1BCR
SCHEMBL6186123 0.85 SRC (0.60) SRCABL1BCR
SCHEMBL6186103 0.79 SRC (0.70) SRCABL1BCR
SCHEMBL5260184 0.78 SRC (0.58) SRCABL1BCR
SCHEMBL6183032 0.78 SRC (0.61) SRCABL1BCR
SCHEMBL5252990 0.77 SRC (0.61) SRCABL1BCR
SCHEMBL6185105 0.76 SRC (0.54) SRCABL1BCR
SCHEMBL6187824 0.76 SRC (0.63) SRCABL1BCR

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