SCHEMBL8032023

SCHEMBL8032023

CCN1/C(=C/C(C)=O)Sc2ccc(NC(=O)c3ccc(OC)cc3)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.71
MAPT P10636 5/20 0.71
CLK1 P49759 4/20 0.71
HSD17B10 Q99714 4/20 0.71
CSNK1E P49674 3/20 0.71
CLK3 P49761 3/20 0.71
DYRK1B Q9Y463 3/20 0.71
LMNA P02545 3/20 0.71
PIM1 P11309 2/20 0.71
CSNK1D P48730 2/20 0.71
CSNK1G2 P78368 2/20 0.71
MAP3K19 Q56UN5 2/20 0.71
PIM3 Q86V86 2/20 0.71
CSNK1G3 Q9Y6M4 2/20 0.71
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
HTT P42858 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
CLK2 P49760 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71

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
SCHEMBL8031500 0.89 MAPT (0.56) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL2977826 0.84 DYRK1A (1.00) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL2977830 0.84 DYRK1A (1.00) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL4013611 0.83 CLK1 (0.69) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL4013619 0.83 CLK1 (0.69) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL8025150 0.81 CLK1 (0.55) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL8020883 0.81 CLK1 (0.66) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL4018509 0.79 CLK1 (0.70) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL4012416 0.79 DYRK1A (0.64) DYRK1AMAPTCLK1HSD17B10CSNK1E
SCHEMBL8020878 0.79 CLK1 (0.63) DYRK1AMAPTCLK1HSD17B10CSNK1E

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-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed