SCHEMBL8031574

SCHEMBL8031574

COc1ccc2c(c1)N(CCN1CCNCC1)/C(=C/C(C)=O)S2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.66
HTR2A P28223 2/20 0.66
HTR2C P28335 2/20 0.66
CLK1 P49759 6/20 0.66
HSD17B10 Q99714 4/20 0.66
CSNK1E P49674 3/20 0.66
CLK3 P49761 3/20 0.66
DYRK1B Q9Y463 3/20 0.66
MAPT P10636 3/20 0.66
PIM1 P11309 2/20 0.66
CSNK1D P48730 2/20 0.66
CSNK1G2 P78368 2/20 0.66
MAP3K19 Q56UN5 2/20 0.66
PIM3 Q86V86 2/20 0.66
CSNK1G3 Q9Y6M4 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
HTT P42858 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
CLK2 P49760 2/20 0.66

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 0.91 DYRK1A (0.70) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL8029999 0.90 DYRK1A (0.69) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL8020262 0.89 DYRK1A (0.67) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL8038012 0.86 DYRK1A (0.64) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL8031846 0.84 DYRK1A (0.50) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL2977826 0.80 DYRK1A (1.00) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL2977830 0.80 DYRK1A (1.00) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL24718934 0.80 DYRK1A (0.77) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL8036322 0.80 DYRK1A (1.00) DYRK1AHTR2AHTR2CCLK1HSD17B10
SCHEMBL8020251 0.79 DYRK1A (0.42) DYRK1AHTR2AHTR2CCLK1HSD17B10

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