SCHEMBL4018094

SCHEMBL4018094

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 9/20 0.64
DYRK1A Q13627 10/20 0.61
CSNK1E P49674 3/20 0.52
CLK3 P49761 3/20 0.52
DYRK1B Q9Y463 3/20 0.52
CLK2 P49760 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
DYRK3 O43781 1/20 0.52
GSK3B P49841 1/20 0.52
DYRK2 Q92630 1/20 0.52
DYRK4 Q9NR20 1/20 0.52
PIM1 P11309 2/20 0.49
CSNK1D P48730 2/20 0.49
CSNK1G2 P78368 2/20 0.49
MAP3K19 Q56UN5 2/20 0.49
PIM3 Q86V86 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CSNK1G3 Q9Y6M4 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49

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
SCHEMBL14403544 0.84 DYRK1A (0.71) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012705 0.84 CLK1 (0.61) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL18166903 0.83 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012671 0.83 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4453543 0.82 CLK1 (0.59) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4170182 0.81 CLK1 (0.58) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4170186 0.81 CLK1 (0.58) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL8035664 0.80 CLK1 (0.56) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4012474 0.78 HDAC3 (0.39) CLK1DYRK1ALMNAMEN1ALDH1A1
SCHEMBL4167016 0.78 CLK1 (1.00) 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