SCHEMBL4972155

SCHEMBL4972155

[CH2]C(Nc1ccc([N+](=O)[O-])cn1)c1ncc(N2CCN(C)CC2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.43
GSK3A P49840 2/20 0.41
KMT2A Q03164 8/20 0.40
WDR5 P61964 7/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 4/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CDK1 P06493 1/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7852236 0.82 GSK3B (0.46) GSK3BGSK3AKMT2ALMNAALDH1A1
SCHEMBL4404409 0.81 GSK3B (0.63) GSK3BGSK3AKMT2AWDR5LMNA
SCHEMBL7854668 0.80 MKNK1 (0.44) GSK3BGSK3AKMT2ALMNAALDH1A1
SCHEMBL4972151 0.80 GSK3B (0.46) GSK3BGSK3AKMT2AWDR5LMNA
SCHEMBL7852600 0.80 GSK3B (0.39) GSK3BGSK3AKMT2ALMNAALDH1A1
SCHEMBL7100354 0.79 GSK3B (0.41) GSK3BKMT2ALMNAALDH1A1MEN1
SCHEMBL4970615 0.78 GSK3B (0.67) GSK3BGSK3AKMT2ALMNAALDH1A1
SCHEMBL5557910 0.77 GSK3B (0.52) GSK3BGSK3AKMT2ALMNAALDH1A1
SCHEMBL4393871 0.71 GSK3B (0.65) GSK3BGSK3AKMT2AWDR5LMNA
SCHEMBL4972798 0.70 GSK3B (0.63) GSK3BGSK3AKMT2ALMNAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
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
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