SCHEMBL4014187

SCHEMBL4014187

CC(=O)/C=C1\Sc2ccc(N3CCOCC3)cc2N1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.49
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
DYRK1A Q13627 6/20 0.43
CLK1 P49759 5/20 0.43
CSNK1E P49674 3/20 0.43
CLK3 P49761 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK3 O43781 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK4 Q9NR20 1/20 0.43
MAPT P10636 5/20 0.42
LGMN Q99538 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL4167871 0.89 DYRK1A (0.45) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8022482 0.88 DYRK1A (0.44) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4017395 0.85 CLK1 (0.63) PRKDCDYRK1ACLK1CSNK1ECLK3
SCHEMBL8035664 0.80 CLK1 (0.56) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8029984 0.78 CLK1 (0.68) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8031570 0.77 CLK1 (0.69) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4016943 0.75 DYRK1A (0.49) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL14299605 0.74 KMT2A (0.47) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4013673 0.73 CLK1 (0.67) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL4014110 0.73 DYRK1A (0.52) DYRK1ACLK1CSNK1ECLK3DYRK1B

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