SCHEMBL4018352

SCHEMBL4018352

CC(=O)C=C1Sc2ccc(N(C)C(C)=O)cc2N1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.71
CLK1 P49759 9/20 0.71
CSNK1E P49674 3/20 0.49
CLK3 P49761 3/20 0.49
DYRK1B Q9Y463 3/20 0.49
CLK2 P49760 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
DYRK3 O43781 1/20 0.49
GSK3B P49841 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK4 Q9NR20 1/20 0.49
ACHE P22303 1/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
PIM1 P11309 2/20 0.47
CSNK1D P48730 2/20 0.47
CSNK1G2 P78368 2/20 0.47
MAP3K19 Q56UN5 2/20 0.47
PIM3 Q86V86 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL4018347 1.00 DYRK1A (0.71) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012952 0.90 CLK1 (0.71) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012960 0.90 CLK1 (0.71) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012130 0.85 DYRK1A (0.67) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012137 0.85 DYRK1A (0.67) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4018492 0.83 DYRK1A (0.62) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4018499 0.83 DYRK1A (0.62) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8036722 0.83 DYRK1A (0.76) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8036719 0.82 DYRK1A (0.75) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4012705 0.81 CLK1 (0.61) 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 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