SCHEMBL3240796

SCHEMBL3240796

Brc1cnc(Nc2cccc(I)c2)nc1NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.53
IGF1R P08069 8/20 0.50
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ULK1 O75385 4/20 0.44
ULK2 Q8IYT8 1/20 0.44
KDR P35968 1/20 0.44
CDK1 P06493 1/20 0.44
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
ALK Q9UM73 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
SCHEMBL2511992 0.85 CTSC (0.52) SYKULK1ULK2ALK
SCHEMBL2938043 0.82 SYK (0.51) SYKIGF1RAURKAAURKBULK1
SCHEMBL1937543 0.82 SYK (0.50) SYKIGF1RAURKAAURKBULK1
SCHEMBL1934221 0.81 SYK (0.51) SYKIGF1RAURKAAURKBFLT3
SCHEMBL1934220 0.81 SYK (0.51) SYKIGF1RAURKAAURKBFLT3
SCHEMBL3264101 0.79 AURKA (0.54) SYKIGF1RAURKAAURKBULK1
SCHEMBL1937577 0.79 SYK (0.50) SYKIGF1RAURKAAURKBULK1
SCHEMBL15584698 0.76 PAK4 (0.52) SYKULK1ULK2CDK1FLT3
SCHEMBL3818817 0.75 IGF1R (0.52) SYKIGF1RAURKAAURKBFLT3
SCHEMBL17544410 0.74 SYK (0.50) SYKIGF1RAURKAAURKBULK1

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