SCHEMBL4014110

SCHEMBL4014110

CC(=O)/C=C1\Sc2ccc(-c3ccccc3)cc2N1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.52
CLK1 P49759 6/20 0.52
MAPT P10636 9/20 0.50
ALDH1A1 P00352 8/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CSNK1E P49674 3/20 0.47
CLK3 P49761 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
CLK2 P49760 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK3 O43781 1/20 0.47
GSK3B P49841 1/20 0.47
DYRK2 Q92630 1/20 0.47
DYRK4 Q9NR20 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46

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
SCHEMBL4013603 0.86 MAPT (0.47) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL8022002 0.82 MAPT (0.46) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL9357971 0.82 ALDH1A1 (0.71) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL9357967 0.82 ALDH1A1 (0.71) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL8032406 0.81 DYRK1A (0.68) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL27908255 0.80 MAPT (0.54) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL24718936 0.80 DYRK1A (0.49) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL4154294 0.80 DYRK1A (0.49) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL4016943 0.80 DYRK1A (0.49) DYRK1ACLK1MAPTALDH1A1HPGD
SCHEMBL27908259 0.80 MAPT (0.45) MAPTALDH1A1HPGDHSD17B10MEN1

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