SCHEMBL7104461

SCHEMBL7104461

Nc1nc(CCNc2ccc([N+](=O)[O-])c(N)n2)c(N2CCOCC2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.54
GSK3A P49840 4/20 0.54
CDK1 P06493 2/20 0.50
CCNB2 O95067 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
MAPT P10636 6/20 0.36
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
CNR1 P21554 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC2A2 P11168 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL7023140 0.91 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7846684 0.88 GSK3B (0.52) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401829 0.80 GSK3B (0.72) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4973794 0.80 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5082585 0.79 GSK3B (0.58) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7019626 0.77 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.77 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7147154 0.77 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7022640 0.77 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4400415 0.76 GSK3B (0.63) 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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed