SCHEMBL6188532

SCHEMBL6188532

COc1ccc(C)c(Nc2c(C#N)cnc3c(OC)c(OCC4CCN(C)CC4)ccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.73
ABL1 P00519 14/20 0.73
ABL2 P42684 12/20 0.73
KDR P35968 1/20 0.43
BCR P11274 2/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL6183294 0.92 SRC (0.63) SRCABL1ABL2BCR
SCHEMBL6183868 0.91 SRC (0.74) SRCABL1ABL2KDRBCR
SCHEMBL6184215 0.90 SRC (0.73) SRCABL1ABL2
SCHEMBL6183312 0.88 SRC (0.73) SRCABL1ABL2KDR
SCHEMBL1657913 0.85 SRC (1.00) SRCABL1ABL2KDRBCR
SCHEMBL30453979 0.85 SRC (1.00) SRCABL1ABL2KDRBCR
SCHEMBL6183491 0.84 SRC (0.73) SRCABL1ABL2BCR
SCHEMBL6183085 0.84 SRC (0.63) SRCABL1ABL2KDRBCR
SCHEMBL6184586 0.83 SRC (0.52) SRCABL1ABL2BCR
SCHEMBL6187804 0.80 SRC (0.62) SRCABL1ABL2

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