SCHEMBL4018422

SCHEMBL4018422

CC(=O)/C=C1\Sc2ccc(N(C)C(C)=O)cc2N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
CLK1 P49759 8/20 0.45
CSNK1E P49674 3/20 0.45
CLK3 P49761 3/20 0.45
DYRK1B Q9Y463 3/20 0.45
CLK2 P49760 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
DYRK3 O43781 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK4 Q9NR20 1/20 0.45
ALDH1A1 P00352 8/20 0.43
MAPT P10636 7/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 4/20 0.43
NFKB1 P19838 4/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL4018427 1.00 DYRK1A (0.46) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4012203 0.89 DYRK1A (0.48) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4012137 0.84 DYRK1A (0.67) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4012130 0.84 DYRK1A (0.67) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL8033618 0.82 DYRK1A (0.46) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL8032406 0.79 DYRK1A (0.68) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4012674 0.79 DYRK1A (0.47) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4012680 0.79 DYRK1A (0.47) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4018352 0.79 DYRK1A (0.71) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4018347 0.79 DYRK1A (0.71) DYRK1AHTR2AHTR2CCLK1CSNK1E

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