SCHEMBL14079191

SCHEMBL14079191

Cc1cn(-c2cnc(NCCNc3ccc([N+](=O)[O-])cn3)nc2-c2ccc(Cl)cc2Cl)c(C)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.63
GSK3A P49840 4/20 0.53
CDK1 P06493 3/20 0.53
CCNB2 O95067 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
LIMK1 P53667 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
SLK Q9H2G2 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
MAPT P10636 4/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 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
SCHEMBL5022861 0.89 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079188 0.89 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079199 0.86 GSK3B (0.72) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079192 0.85 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4404409 0.84 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094403 0.83 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4396231 0.83 MKNK2 (0.61) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4404401 0.83 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094519 0.83 GSK3B (0.71) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100249 0.83 GSK3B (0.64) 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