SCHEMBL2914191

SCHEMBL2914191

CN1CCCC1CCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)cn1CCCNc1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.47
GSK3A P49840 3/20 0.47
CDK1 P06493 2/20 0.41
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRM3 P20309 6/20 0.35
ACKR3 P25106 2/20 0.35
CHRM4 P08173 1/20 0.35
LCK P06239 1/20 0.34
LMNA P02545 1/20 0.34
CAMK2D Q13557 1/20 0.34

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
SCHEMBL2910387 0.88 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2907104 0.88 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912205 0.88 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912214 0.87 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2913436 0.87 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911878 0.86 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911669 0.84 LMNA (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911942 0.84 CYP2C19 (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2903944 0.83 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904701 0.83 GSK3B (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed