SCHEMBL2909689

SCHEMBL2909689

C[C@H](CO)NC(=O)c1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
GSK3B P49841 4/20 0.35
GSK3A P49840 3/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 9/20 0.33
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
CDK1 P06493 2/20 0.32
CCNB2 O95067 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL2906814 1.00 ALOX5AP (0.36) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2912215 0.93 GSK3B (0.42) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2905628 0.93 ALOX5AP (0.35) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2905208 0.93 GSK3B (0.42) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2913460 0.93 GSK3B (0.40) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2944754 0.93 ALOX5AP (0.35) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2907240 0.93 GSK3B (0.40) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2912014 0.92 ALOX5AP (0.43) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2904400 0.92 ALOX5AP (0.43) ALOX5APFEN1GSK3BGSK3AALDH1A1
SCHEMBL2904127 0.91 MET (0.35) ALOX5APFEN1GSK3BGSK3AALDH1A1

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