SCHEMBL6184535

SCHEMBL6184535

COc1cc(Nc2c(C#N)cnc3cc(NCCCN4CCOCC4)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.80
ABL1 P00519 2/20 0.80
BCR P11274 1/20 0.80
EGFR P00533 1/20 0.71
ERBB2 P04626 1/20 0.71
FYN P06241 1/20 0.71
LYN P07948 1/20 0.71

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
SCHEMBL6183794 0.92 SRC (0.79) SRCABL1BCREGFRERBB2
SCHEMBL25921819 0.91 SRC (0.80) SRCABL1BCREGFRERBB2
SCHEMBL6184537 0.87 SRC (0.65) SRCABL1BCREGFRERBB2
SCHEMBL1891343 0.86 SRC (0.69) SRCABL1BCREGFRERBB2
SCHEMBL1899125 0.85 SRC (1.00) SRCABL1BCREGFRERBB2
SCHEMBL4984604 0.85 SRC (0.93) SRCABL1BCREGFRERBB2
SCHEMBL4116894 0.85 SRC (1.00) SRCABL1BCREGFRERBB2
SCHEMBL4116887 0.85 SRC (1.00) SRCABL1BCREGFRERBB2
SCHEMBL6184821 0.84 SRC (0.87) SRCABL1BCREGFRERBB2
SCHEMBL6184034 0.84 SRC (0.92) 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-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