SCHEMBL7147154

SCHEMBL7147154

N=c1nc(-c2ccc(Cl)cc2Cl)c(CN2CCOCC2)c(CCNc2ccc([N+](=O)[O-])c(N)n2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
GSK3A P49840 4/20 0.50
CDK1 P06493 2/20 0.47
CCNB2 O95067 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
CYP2C19 P33261 1/20 0.37
LMNA P02545 4/20 0.36
SLC2A2 P11168 1/20 0.35
MAPT P10636 8/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.33
PKM P14618 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
SCHEMBL7846684 0.85 GSK3B (0.52) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4400415 0.78 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7143730 0.77 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7104461 0.77 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2914179 0.73 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401829 0.73 GSK3B (0.72) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.73 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270545 0.73 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5089519 0.73 GSK3B (0.58) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5082585 0.72 GSK3B (0.58) 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