SCHEMBL4167012

SCHEMBL4167012

CC(=O)/C=C1\Sc2ccc(O)cc2N1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 9/20 1.00
DYRK1A Q13627 10/20 0.81
CSNK1E P49674 3/20 0.70
CLK3 P49761 3/20 0.70
DYRK1B Q9Y463 3/20 0.70
CLK2 P49760 2/20 0.70
CLK4 Q9HAZ1 2/20 0.70
DYRK3 O43781 1/20 0.70
GSK3B P49841 1/20 0.70
DYRK2 Q92630 1/20 0.70
DYRK4 Q9NR20 1/20 0.70
PIM1 P11309 2/20 0.50
CSNK1D P48730 2/20 0.50
CSNK1G2 P78368 2/20 0.50
MAP3K19 Q56UN5 2/20 0.50
PIM3 Q86V86 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CSNK1G3 Q9Y6M4 2/20 0.50
GAA P10253 1/20 0.50
APOBEC3A P31941 1/20 0.50

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
SCHEMBL4167016 1.00 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012583 0.90 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012334 0.87 DYRK1A (0.80) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL8032119 0.85 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL8031828 0.85 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012716 0.84 CLK1 (0.72) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012725 0.84 CLK1 (0.72) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4013586 0.84 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012952 0.83 CLK1 (0.71) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012960 0.83 CLK1 (0.71) CLK1DYRK1ACSNK1ECLK3DYRK1B

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