SCHEMBL2904684

SCHEMBL2904684

CN(C)CCNC(=O)Nc1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.47
GSK3A P49840 3/20 0.47
CDK1 P06493 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
HSD11B1 P28845 1/20 0.31
FOLH1 Q04609 1/20 0.31
TERT O14746 2/20 0.31

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
SCHEMBL2904807 0.89 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2941039 0.88 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910561 0.88 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2906895 0.84 POLB (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911365 0.82 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2907499 0.82 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912784 0.82 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910746 0.81 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904224 0.81 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2939108 0.81 GSK3B (0.45) 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