SCHEMBL4157020

SCHEMBL4157020

CCN1/C(=C/C(=O)C(C)C)Sc2ccc(OC)cc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.76
HSD17B10 Q99714 4/20 0.76
MAPT P10636 4/20 0.76
CLK1 P49759 4/20 0.76
ALDH1A1 P00352 4/20 0.76
CSNK1E P49674 3/20 0.76
CLK3 P49761 3/20 0.76
DYRK1B Q9Y463 3/20 0.76
HPGD P15428 3/20 0.76
HTT P42858 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
PIM1 P11309 2/20 0.76
CSNK1D P48730 2/20 0.76
CSNK1G2 P78368 2/20 0.76
MAP3K19 Q56UN5 2/20 0.76
PIM3 Q86V86 2/20 0.76
CSNK1G3 Q9Y6M4 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
CLK2 P49760 2/20 0.76

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
SCHEMBL4157023 1.00 DYRK1A (0.76) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL2977830 0.86 DYRK1A (1.00) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL2977826 0.86 DYRK1A (1.00) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL24718937 0.85 MAPT (1.00) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL8031500 0.85 MAPT (0.56) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL8031777 0.83 DYRK1A (0.76) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL25934725 0.82 DYRK1A (0.74) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL8036087 0.82 DYRK1A (0.74) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL24718939 0.82 DYRK1A (0.74) DYRK1AHSD17B10MAPTCLK1ALDH1A1
SCHEMBL8038654 0.82 CLK1 (0.54) DYRK1AHSD17B10MAPTCLK1ALDH1A1

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