SCHEMBL6183312

SCHEMBL6183312

COc1c(OCC2CCN(C)CC2)ccc2c(Nc3ccc(C)cc3C)c(C#N)cnc12

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.73
ABL1 P00519 12/20 0.73
ABL2 P42684 12/20 0.73
PRKCQ Q04759 1/20 0.44
EGFR P00533 2/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
RET P07949 1/20 0.41

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
SCHEMBL6187804 0.92 SRC (0.62) SRCABL1ABL2PRKCQ
SCHEMBL6184215 0.91 SRC (0.73) SRCABL1ABL2
SCHEMBL6188532 0.88 SRC (0.73) SRCABL1ABL2KDR
SCHEMBL6183491 0.86 SRC (0.73) SRCABL1ABL2
SCHEMBL30453000 0.84 SRC (1.00) SRCABL1ABL2EGFRFGFR1
SCHEMBL1657893 0.84 SRC (1.00) SRCABL1ABL2EGFRFGFR1
SCHEMBL6183868 0.84 SRC (0.74) SRCABL1ABL2KDR
SCHEMBL6188022 0.83 SRC (0.49) SRCABL1ABL2PRKCQEGFR
SCHEMBL3152705 0.83 SRC (0.92) SRCABL1ABL2EGFRFGFR1
SCHEMBL6183294 0.80 SRC (0.63) 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