SCHEMBL14079192

SCHEMBL14079192

O=c1ccccn1-c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.62
GSK3A P49840 4/20 0.54
CDK1 P06493 3/20 0.54
CCNB2 O95067 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
LIMK1 P53667 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
SLK Q9H2G2 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 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
SCHEMBL14079136 0.91 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094403 0.88 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4396231 0.86 MKNK2 (0.61) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5022861 0.85 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL5093375 0.85 MKNK2 (0.60) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4395834 0.85 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079191 0.85 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL5092548 0.84 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100249 0.84 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100846 0.83 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1

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
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed