SCHEMBL4018924

SCHEMBL4018924

CCN1C(=CC(C)=O)Sc2ccc(OC(C)=O)cc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.80
CSNK1E P49674 3/20 0.80
CLK1 P49759 3/20 0.80
CLK3 P49761 3/20 0.80
DYRK1B Q9Y463 3/20 0.80
HSD17B10 Q99714 3/20 0.80
MAPT P10636 3/20 0.80
PIM1 P11309 2/20 0.80
CSNK1D P48730 2/20 0.80
CSNK1G2 P78368 2/20 0.80
MAP3K19 Q56UN5 2/20 0.80
PIM3 Q86V86 2/20 0.80
CSNK1G3 Q9Y6M4 2/20 0.80
CLK2 P49760 2/20 0.80
CLK4 Q9HAZ1 2/20 0.80
ALDH1A1 P00352 2/20 0.80
HPGD P15428 2/20 0.80
HTT P42858 2/20 0.80
NPSR1 Q6W5P4 2/20 0.80
GAA P10253 1/20 0.80

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
SCHEMBL4018920 1.00 DYRK1A (0.80) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL2977826 0.89 DYRK1A (1.00) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL2977830 0.89 DYRK1A (1.00) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL24718932 0.88 DYRK1A (0.80) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL4012716 0.84 CLK1 (0.72) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL4012236 0.84 DYRK1A (0.67) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL4012725 0.84 CLK1 (0.72) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL4012239 0.84 DYRK1A (0.67) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL4013825 0.82 CLK1 (0.74) DYRK1ACSNK1ECLK1CLK3DYRK1B
SCHEMBL4013820 0.82 CLK1 (0.74) DYRK1ACSNK1ECLK1CLK3DYRK1B

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