SCHEMBL4561276

SCHEMBL4561276

O=C(Nc1cnccn1)Nc1ccnc2cc(Br)ccc12.O=C(Nc1cnccn1)Nc1ccnc2cc(I)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 10/20 0.62
GSK3B P49841 8/20 0.62
CDK5 Q00535 8/20 0.62
CLK2 P49760 8/20 0.62
MAP4K4 O95819 7/20 0.62
DYRK1A Q13627 7/20 0.62
GSK3A P49840 7/20 0.62
KDR P35968 7/20 0.62
STK17A Q9UEE5 7/20 0.62
PRKD3 O94806 6/20 0.62
CDK2 P24941 6/20 0.62
AURKB Q96GD4 5/20 0.62
LIMK1 P53667 5/20 0.62
PIM3 Q86V86 4/20 0.62
FLT4 P35916 4/20 0.62
BRSK1 Q8TDC3 4/20 0.62
SGK2 Q9HBY8 3/20 0.62
DYRK3 O43781 3/20 0.62
PLK4 O00444 2/20 0.62
CHEK2 O96017 2/20 0.62

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
SCHEMBL1421498 0.93 CLK4 (0.70) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL3802577 0.93 CLK4 (0.70) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL1421049 0.84 GSK3B (0.70) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL4561277 0.82 GSK3B (0.41) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL10296674 0.81 CLK4 (0.71) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL12663381 0.78 CLK4 (0.54) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL10296641 0.78 GSK3B (0.67) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL10008353 0.78 CLK2 (0.70) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL12663382 0.78 GSK3B (0.59) CLK4GSK3BCDK5CLK2MAP4K4
SCHEMBL3802860 0.77 CLK4 (1.00) CLK4GSK3BCDK5CLK2MAP4K4

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 4 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 claimed
WO-2008046919-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-04-24 WO claimed
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