SCHEMBL4970968

SCHEMBL4970968

Cc1c[nH]c(-c2cnc([CH]CNc3ccc([N+](=O)[O-])cn3)nc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.57
CDK1 P06493 3/20 0.42
GSK3A P49840 3/20 0.42
CCNB2 O95067 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
LIMK1 P53667 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39

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
SCHEMBL7850999 0.90 GSK3B (0.54) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7022779 0.88 GSK3B (0.73) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4393579 0.85 GSK3B (0.78) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7250595 0.85 GSK3B (0.64) GSK3BCDK1GSK3ACCNB2CCNB1
Hydrochloric Acid SCHEMBL5089070 0.85 GSK3B (0.77) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4970607 0.84 GSK3B (0.55) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5099039 0.83 GSK3B (0.62) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7852234 0.82 GSK3B (0.51) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5559057 0.82 GSK3B (0.62) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7854664 0.81 GSK3B (0.51) 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 10 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-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 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-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 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