SCHEMBL14079130

SCHEMBL14079130

Cc1cn(-c2ccc(NCCNc3ccc([N+](=O)[O-])cn3)nc2-c2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
GSK3A P49840 4/20 0.49
CDK1 P06493 3/20 0.49
CCNB2 O95067 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL14079188 0.92 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079157 0.86 GSK3B (0.65) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079152 0.85 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079133 0.83 NR2E1 (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079158 0.83 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7250595 0.81 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7026093 0.81 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079191 0.80 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079136 0.80 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5093532 0.80 GSK3B (0.55) 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