SCHEMBL4569971

SCHEMBL4569971

O=C(Nc1ncsc1Cl)Nc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.60
GSK3B P49841 11/20 0.60
GSK3A P49840 10/20 0.60
KDR P35968 6/20 0.60
CLK2 P49760 6/20 0.60
STK17A Q9UEE5 5/20 0.60
MAP4K4 O95819 4/20 0.60
AURKB Q96GD4 4/20 0.60
DYRK3 O43781 4/20 0.60
DYRK1A Q13627 4/20 0.60
CDK5 Q00535 4/20 0.60
PRKD3 O94806 3/20 0.60
CDK2 P24941 3/20 0.60
PIM3 Q86V86 3/20 0.60
FGFR1 P11362 3/20 0.60
PRKD2 Q9BZL6 2/20 0.60
LIMK1 P53667 2/20 0.60
CSNK1G2 P78368 2/20 0.60
BRSK1 Q8TDC3 2/20 0.60
SGK2 Q9HBY8 2/20 0.60

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
SCHEMBL3800759 0.80 CLK4 (0.59) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL4569972 0.76 CLK4 (0.61) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL3795773 0.76 CLK4 (0.74) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL27299059 0.75 CLK4 (0.63) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL3802860 0.75 CLK4 (1.00) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL3798480 0.74 CLK4 (0.71) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL10008456 0.73 CLK4 (1.00) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL5240032 0.69 CLK4 (0.55) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL4418122 0.68 CLK4 (0.54) CLK4GSK3BGSK3AKDRCLK2
SCHEMBL7375370 0.68 CLK4 (0.50) CLK4GSK3BGSK3AKDRCLK2

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
EP-2091943-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2009-08-26 EP disclosed
WO-2008046919-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-04-24 WO disclosed