SCHEMBL4449629

SCHEMBL4449629

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
HSD17B10 Q99714 4/20 0.69
CLK1 P49759 4/20 0.69
MAPT P10636 3/20 0.69
CSNK1E P49674 3/20 0.69
CLK3 P49761 3/20 0.69
DYRK1B Q9Y463 3/20 0.69
PIM1 P11309 2/20 0.69
CSNK1D P48730 2/20 0.69
CSNK1G2 P78368 2/20 0.69
MAP3K19 Q56UN5 2/20 0.69
PIM3 Q86V86 2/20 0.69
CSNK1G3 Q9Y6M4 2/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
HTT P42858 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
CLK2 P49760 2/20 0.69

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
SCHEMBL2977830 0.82 DYRK1A (1.00) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL2977826 0.82 DYRK1A (1.00) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL8031777 0.79 DYRK1A (0.76) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL24718937 0.79 MAPT (1.00) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL24718939 0.78 DYRK1A (0.74) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL8036803 0.78 DYRK1A (0.74) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL24534821 0.78 DYRK1A (0.70) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL4157023 0.77 DYRK1A (0.76) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL4157020 0.77 DYRK1A (0.76) DYRK1AMEN1KMT2AHSD17B10CLK1
SCHEMBL8036087 0.76 DYRK1A (0.74) DYRK1AMEN1KMT2AHSD17B10CLK1

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