SCHEMBL3264101

SCHEMBL3264101

Brc1ccc(Nc2ncc(Br)c(NC3CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
IGF1R P08069 3/20 0.54
ULK1 O75385 2/20 0.53
ULK2 Q8IYT8 1/20 0.53
SYK P43405 11/20 0.51
FLT3 P36888 1/20 0.50
TYRO3 Q06418 1/20 0.50
MERTK Q12866 1/20 0.50
GAS6 Q14393 1/20 0.50
GSK3B P49841 1/20 0.47
TNK2 Q07912 1/20 0.46

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
SCHEMBL3265649 0.94 AURKA (0.58) AURKAAURKBIGF1RULK1ULK2
SCHEMBL2939842 0.85 SYK (0.67) AURKAAURKBIGF1RULK1ULK2
SCHEMBL20533977 0.83 SYK (0.56) AURKAAURKBIGF1RULK1ULK2
SCHEMBL20533975 0.83 SYK (0.56) AURKAAURKBIGF1RULK1ULK2
SCHEMBL30819885 0.83 SYK (0.61) AURKAAURKBIGF1RSYKFLT3
SCHEMBL21795916 0.83 SYK (0.61) AURKAAURKBIGF1RSYKFLT3
SCHEMBL4068789 0.81 SYK (0.68) AURKAAURKBIGF1RSYK
SCHEMBL13648587 0.80 SYK (0.69) AURKAAURKBIGF1RSYKFLT3
SCHEMBL14498929 0.80 SYK (0.69) AURKAAURKBIGF1RSYKFLT3
SCHEMBL4070462 0.80 SYK (0.69) AURKAAURKBIGF1RSYKFLT3

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