SCHEMBL4561277

SCHEMBL4561277

O=C(Nc1cnccn1)N(c1ccnc2cc(Br)ccc12)N(C(=O)Nc1cnccn1)c1ccnc2cc(I)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.41
CDK5 Q00535 4/20 0.41
KDR P35968 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
GSK3A P49840 4/20 0.41
PRKD3 O94806 3/20 0.41
MAP4K4 O95819 3/20 0.41
CDK2 P24941 3/20 0.41
CLK2 P49760 3/20 0.41
LIMK1 P53667 3/20 0.41
DYRK1A Q13627 3/20 0.41
PIM3 Q86V86 3/20 0.41
AURKB Q96GD4 3/20 0.41
SGK2 Q9HBY8 3/20 0.41
STK17A Q9UEE5 3/20 0.41
PLK4 O00444 2/20 0.41
CHEK2 O96017 2/20 0.41
FLT4 P35916 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
DYRK3 O43781 2/20 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
SCHEMBL4561276 0.82 CLK4 (0.62) GSK3BCDK5KDRCLK4GSK3A
SCHEMBL1421498 0.74 CLK4 (0.70) GSK3BCDK5KDRCLK4GSK3A
SCHEMBL3802577 0.74 CLK4 (0.70) GSK3BCDK5KDRCLK4GSK3A
SCHEMBL4562088 0.69 GSK3B (0.45) GSK3BCDK5KDRCLK4GSK3A
SCHEMBL1421049 0.68 GSK3B (0.70) GSK3BCDK5KDRCLK4GSK3A
SCHEMBL12663382 0.63 GSK3B (0.59) GSK3BCDK5KDRCLK4GSK3A
SCHEMBL22659957 0.63 ALK (0.46) KMT2AMEN1RAB9ANPC1GRM5
SCHEMBL29016187 0.62 KMT2A (0.74) CDK2LRRK2KMT2AMEN1NPSR1
SCHEMBL29409256 0.62 KMT2A (0.74) CDK2LRRK2KMT2AMEN1NPSR1
SCHEMBL12663381 0.62 CLK4 (0.54) GSK3BCDK5KDRCLK4GSK3A

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