SCHEMBL4972151

SCHEMBL4972151

CN1CCN(c2cnc([CH]CNc3ccc([N+](=O)[O-])cn3)nc2-c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.46
GSK3A P49840 2/20 0.44
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 8/20 0.39
WDR5 P61964 6/20 0.39
CDK1 P06493 1/20 0.39
MEN1 O00255 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
PAK4 O96013 1/20 0.36
PAK1 Q13153 1/20 0.36
PKN1 Q16512 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4404409 0.85 GSK3B (0.63) GSK3BGSK3AHRH4ALDH1A1MAPT
SCHEMBL7852234 0.82 GSK3B (0.51) GSK3BGSK3AALDH1A1MAPTNPC1
SCHEMBL4972155 0.80 GSK3B (0.43) GSK3BGSK3AHRH4ALDH1A1MAPT
SCHEMBL7100351 0.80 GSK3B (0.45) GSK3BALDH1A1MAPTNPC1GAA
SCHEMBL7022779 0.78 GSK3B (0.73) GSK3BGSK3AALDH1A1MAPTNPC1
SCHEMBL4970968 0.78 GSK3B (0.57) GSK3BGSK3AALDH1A1MAPTNPC1
SCHEMBL4970607 0.77 GSK3B (0.55) GSK3BGSK3AALDH1A1MAPTNPC1
SCHEMBL4393871 0.76 GSK3B (0.65) GSK3BGSK3AALDH1A1MAPTNPC1
SCHEMBL7854664 0.74 GSK3B (0.51) GSK3BGSK3AALDH1A1MAPTNPC1
SCHEMBL7852598 0.74 GSK3B (0.49) GSK3BGSK3AALDH1A1MAPTNPC1

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