SCHEMBL3265649

SCHEMBL3265649

Brc1ccc(Nc2ncc(Br)c(NC3CCC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.58
AURKB Q96GD4 1/20 0.58
SYK P43405 15/20 0.54
IGF1R P08069 1/20 0.51
FLT3 P36888 1/20 0.48
TYRO3 Q06418 1/20 0.48
MERTK Q12866 1/20 0.48
GAS6 Q14393 1/20 0.48
ULK1 O75385 1/20 0.48
ULK2 Q8IYT8 1/20 0.48

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
SCHEMBL3264101 0.94 AURKA (0.54) AURKAAURKBSYKIGF1RFLT3
SCHEMBL21795916 0.86 SYK (0.61) AURKAAURKBSYKIGF1RFLT3
SCHEMBL30819885 0.86 SYK (0.61) AURKAAURKBSYKIGF1RFLT3
SCHEMBL4058413 0.82 SYK (0.69) AURKAAURKBSYKIGF1R
SCHEMBL4064533 0.82 SYK (0.69) AURKAAURKBSYKIGF1R
SCHEMBL2939842 0.81 SYK (0.67) AURKAAURKBSYKIGF1RULK1
SCHEMBL20533977 0.79 SYK (0.56) AURKAAURKBSYKIGF1RFLT3
SCHEMBL20533975 0.79 SYK (0.56) AURKAAURKBSYKIGF1RFLT3
SCHEMBL1937577 0.78 SYK (0.50) AURKAAURKBSYKIGF1RULK1
SCHEMBL21795906 0.78 TYRO3 (0.62) AURKAAURKBSYKIGF1RTYRO3

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