SCHEMBL2910220

SCHEMBL2910220

CC(C)(C)OC(=O)c1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.39
GSK3A P49840 3/20 0.39
CDK1 P06493 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
P2RX7 Q99572 1/20 0.33
SIRT5 Q9NXA8 2/20 0.32
POLB P06746 1/20 0.32
PRKCQ Q04759 2/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1219461 0.91 GSK3B (0.49) GSK3BGSK3ACDK1SCN10ACCNB2
SCHEMBL2910224 0.89 GSK3B (0.42) GSK3BGSK3ACDK1SCN10ACCNB2
SCHEMBL2912884 0.88 GSK3B (0.40) GSK3BGSK3ACDK1SCN10ACCNB2
SCHEMBL2909927 0.88 GSK3B (0.49) GSK3BGSK3ACDK1SCN10ACCNB2
SCHEMBL2910908 0.88 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910408 0.87 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904015 0.86 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909914 0.86 GSK3B (0.43) GSK3BGSK3ACDK1SCN10ACCNB2
SCHEMBL2904943 0.85 GSK3B (0.35) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2914083 0.85 MET (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed