SCHEMBL4012334

SCHEMBL4012334

COc1ccc(CN2/C(=C/C(C)=O)Sc3ccc(O)cc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.80
CLK1 P49759 9/20 0.80
CSNK1E P49674 3/20 0.65
CLK3 P49761 3/20 0.65
DYRK1B Q9Y463 3/20 0.65
CLK2 P49760 2/20 0.65
CLK4 Q9HAZ1 2/20 0.65
DYRK3 O43781 1/20 0.65
GSK3B P49841 1/20 0.65
DYRK2 Q92630 1/20 0.65
DYRK4 Q9NR20 1/20 0.65
HSD17B10 Q99714 4/20 0.65
MAPT P10636 3/20 0.65
PIM1 P11309 2/20 0.65
CSNK1D P48730 2/20 0.65
CSNK1G2 P78368 2/20 0.65
MAP3K19 Q56UN5 2/20 0.65
PIM3 Q86V86 2/20 0.65
CSNK1G3 Q9Y6M4 2/20 0.65
ALDH1A1 P00352 2/20 0.65

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
SCHEMBL4014434 0.89 DYRK1A (1.00) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012236 0.88 DYRK1A (0.67) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012239 0.88 DYRK1A (0.67) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4167012 0.87 CLK1 (1.00) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4167016 0.87 CLK1 (1.00) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL14403544 0.87 DYRK1A (0.71) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8020937 0.86 DYRK1A (0.61) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012583 0.82 CLK1 (1.00) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8020238 0.82 DYRK1A (0.56) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4013586 0.81 CLK1 (1.00) DYRK1ACLK1CSNK1ECLK3DYRK1B

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