SCHEMBL3818817

SCHEMBL3818817

CCCOc1cccc(Nc2ncc(Br)c(NC3CCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.52
SYK P43405 7/20 0.48
FLT3 P36888 2/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
EGFR P00533 4/20 0.44
ITK Q08881 2/20 0.44
BTK Q06187 1/20 0.44
PDPK1 O15530 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL1937577 0.78 SYK (0.50) IGF1RSYKAURKAAURKBPDPK1
SCHEMBL994027 0.76 SYK (0.45) SYKEGFRBTK
SCHEMBL3240796 0.75 SYK (0.53) IGF1RSYKFLT3AURKAAURKB
SCHEMBL2938043 0.75 SYK (0.51) IGF1RSYKAURKAAURKB
SCHEMBL1937543 0.75 SYK (0.50) IGF1RSYKAURKAAURKBPDPK1
SCHEMBL3265649 0.74 AURKA (0.58) IGF1RSYKFLT3AURKAAURKB
SCHEMBL1934220 0.73 SYK (0.51) IGF1RSYKFLT3AURKAAURKB
SCHEMBL1934221 0.73 SYK (0.51) IGF1RSYKFLT3AURKAAURKB
SCHEMBL30819885 0.72 SYK (0.61) IGF1RSYKFLT3AURKAAURKB
SCHEMBL21795916 0.72 SYK (0.61) IGF1RSYKFLT3AURKAAURKB

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
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO disclosed