SCHEMBL6184537

SCHEMBL6184537

COc1cc(Nc2c(C#N)cnc3c(OC)c(NCCCN4CCOCC4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.65
ABL1 P00519 2/20 0.65
BCR P11274 1/20 0.65
EGFR P00533 2/20 0.60
FYN P06241 2/20 0.60
MAP2K1 Q02750 1/20 0.60
ERBB2 P04626 1/20 0.60
LYN P07948 1/20 0.60

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
SCHEMBL6185902 0.92 SRC (0.65) SRCABL1BCREGFRFYN
SCHEMBL6184535 0.87 SRC (0.80) SRCABL1BCREGFRFYN
SCHEMBL5254607 0.87 SRC (0.72) SRCABL1BCREGFRFYN
SCHEMBL6184635 0.84 SRC (0.66) SRCABL1BCREGFRFYN
SCHEMBL5256421 0.84 SRC (0.72) SRCABL1BCREGFRFYN
SCHEMBL6185794 0.84 SRC (0.59) SRCABL1BCR
SCHEMBL5257281 0.83 SRC (0.70) SRCABL1BCREGFRFYN
SCHEMBL6183032 0.83 SRC (0.61) SRCABL1BCR
SCHEMBL5255736 0.83 SRC (0.77) SRCEGFRFYNMAP2K1
SCHEMBL6187929 0.83 SRC (0.70) SRCABL1BCREGFRFYN

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