SCHEMBL7856014

SCHEMBL7856014

CCNc1cc(CCNc2ccc([N+](=O)[O-])c(N)n2)[c]nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.53
GSK3A P49840 3/20 0.53
CDK1 P06493 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
MAPT P10636 4/20 0.33
PKM P14618 2/20 0.33
PGK1 P00558 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
DPP4 P27487 2/20 0.31
CYP3A4 P08684 1/20 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
SCHEMBL7851212 0.90 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5558006 0.84 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5098978 0.84 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7022318 0.84 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.79 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5082585 0.78 GSK3B (0.58) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099975 0.78 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669938 0.75 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7146357 0.74 GSK3B (0.37) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7851803 0.74 GSK3B (0.54) 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
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed