SCHEMBL24149264

SCHEMBL24149264

Brc1ccc2[nH]nc(-c3cccc(CN4CCOCC4)c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.58
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
AURKB Q96GD4 2/20 0.52
DCLK1 O15075 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
CSF1R P07333 1/20 0.52
FER P16591 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1D P48730 1/20 0.52
CLK2 P49760 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK1G2 P78368 1/20 0.52
MAP4K2 Q12851 1/20 0.52

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
SCHEMBL13655149 0.81 CHEK1 (0.68) CHEK1CDK7
SCHEMBL14338764 0.78 HSD17B10 (0.52) AURKBDCLK1PRKD3MAP4K4CHEK2
SCHEMBL2872738 0.78 JAK2 (0.57) LRRK2AURKBFLT3JAK2ALDH1A1
SCHEMBL578335 0.75 SMN1; SMN2 (0.70) CNR1CNR2ALDH1A1NCF1
SCHEMBL1593369 0.74 LRRK2 (0.52) LRRK2CNR1CNR2AURKBCSF1R
SCHEMBL13655139 0.74 CHEK1 (0.75) CHEK1CDK7
SCHEMBL883286 0.74 LRRK2 (1.00) LRRK2
SCHEMBL16025480 0.74 LRRK2 (0.74) LRRK2
SCHEMBL17160816 0.73 SMN1; SMN2 (0.68) CNR1CNR2ALDH1A1NCF1
SCHEMBL6818232 0.73 SMN1; SMN2 (0.68) CNR1CNR2ALDH1A1NCF1

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-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed