SCHEMBL8020262

SCHEMBL8020262

COc1ccc2c(c1)N(CCN1CCOCC1)/C(=C/C(C)=O)S2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.67
CLK1 P49759 5/20 0.67
HSD17B10 Q99714 4/20 0.67
CSNK1E P49674 3/20 0.67
CLK3 P49761 3/20 0.67
DYRK1B Q9Y463 3/20 0.67
MAPT P10636 3/20 0.67
PIM1 P11309 2/20 0.67
CSNK1D P48730 2/20 0.67
CSNK1G2 P78368 2/20 0.67
MAP3K19 Q56UN5 2/20 0.67
PIM3 Q86V86 2/20 0.67
CSNK1G3 Q9Y6M4 2/20 0.67
HTR2A P28223 2/20 0.67
HTR2C P28335 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
CLK2 P49760 2/20 0.67

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
SCHEMBL8029736 0.92 DYRK1A (0.70) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL8029999 0.91 DYRK1A (0.69) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL8031574 0.89 DYRK1A (0.66) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL8031540 0.86 DYRK1A (0.65) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL8035434 0.83 DYRK1A (0.51) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL8029996 0.82 DYRK1A (0.46) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL2977826 0.81 DYRK1A (1.00) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL2977830 0.81 DYRK1A (1.00) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL24718934 0.81 DYRK1A (0.77) DYRK1ACLK1HSD17B10CSNK1ECLK3
SCHEMBL8036322 0.81 DYRK1A (1.00) DYRK1ACLK1HSD17B10CSNK1ECLK3

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