SCHEMBL7102813

SCHEMBL7102813

[CH2]C(CC(c1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2Cl)n1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.58
CDK1 P06493 2/20 0.46
GSK3A P49840 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
NPBWR1 P48145 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4970615 0.84 GSK3B (0.67) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7022602 0.84 GSK3B (0.63) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7852495 0.82 GSK3B (0.68) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4398386 0.78 GSK3B (0.41) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4972798 0.77 GSK3B (0.63) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5559061 0.76 GSK3B (0.57) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5089439 0.76 GSK3B (0.64) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7100354 0.76 GSK3B (0.41) GSK3BMEN1KMT2AHTTKDM4E
SCHEMBL7022506 0.75 GSK3B (0.55) GSK3BCDK1GSK3ACCNB2CCNB1
Hydrochloric Acid SCHEMBL5092393 0.75 GSK3B (0.63) GSK3BCDK1GSK3ACCNB2CCNB1

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