SCHEMBL3264983

SCHEMBL3264983

Brc1ccc(Nc2ncc(Br)c(NCC3CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.57
PRKCQ Q04759 3/20 0.50
CDK1 P06493 3/20 0.50
CDK2 P24941 3/20 0.50
STK17A Q9UEE5 3/20 0.50
STK17B O94768 2/20 0.50
IGF1R P08069 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNE1 P24864 1/20 0.50
CA2 P00918 1/20 0.47
SYK P43405 1/20 0.46
KDR P35968 1/20 0.45
CHEK1 O14757 1/20 0.44

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
SCHEMBL4066435 0.86 CA2 (0.67) TNK2CDK1CDK2STK17ASTK17B
SCHEMBL13648524 0.85 TNK2 (0.53) TNK2CDK1CDK2IGF1RCCNB1
SCHEMBL5155001 0.81 CA2 (0.51) TNK2PRKCQCDK1CDK2STK17A
SCHEMBL4068764 0.81 CA2 (0.64) TNK2CDK1CDK2IGF1RCCNB1
SCHEMBL13794203 0.80 PRKCQ (0.59) TNK2PRKCQCDK1CDK2STK17A
SCHEMBL1917777 0.80 PRKCQ (0.71) PRKCQSTK17ACHEK1
SCHEMBL3264101 0.80 AURKA (0.54) TNK2IGF1RSYK
SCHEMBL1916929 0.78 PRKCQ (0.72) PRKCQCDK1CDK2
SCHEMBL3265649 0.77 AURKA (0.58) IGF1RSYK
SCHEMBL1916305 0.76 CHEK1 (0.72) PRKCQSYKCHEK1

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-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed