SCHEMBL8564136

SCHEMBL8564136

CSc1ccc(-c2nc3ccccn3c2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
NR1I3 Q14994 2/20 0.53
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
MAPK13 O15264 5/20 0.51
MAPK12 P53778 5/20 0.51
MAPK11 Q15759 5/20 0.51
MAPK14 Q16539 5/20 0.51
KDM4E B2RXH2 3/20 0.51
GCGR P47871 2/20 0.51
HPGD P15428 1/20 0.51
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
HTR6 P50406 1/20 0.45
CSNK1D P48730 3/20 0.44
CSNK1E P49674 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
FLT3 P36888 1/20 0.43

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
SCHEMBL9292890 0.87 NR1I3 (0.53) ALDH1A1NR1I3PTGS1PTGS2MAPK13
SCHEMBL9293490 0.87 NR1I3 (0.53) ALDH1A1NR1I3PTGS1PTGS2MAPK13
SCHEMBL22342526 0.86 ALDH1A1 (0.61) ALDH1A1NR1I3MAPK13MAPK12MAPK11
SCHEMBL22342529 0.85 ALDH1A1 (0.57) ALDH1A1NR1I3MAPK13MAPK12MAPK11
SCHEMBL9298472 0.82 CSNK1D (0.58) ALDH1A1NR1I3MAPK13MAPK12MAPK11
SCHEMBL8565114 0.80 PTGS2 (0.62) ALDH1A1NR1I3PTGS1PTGS2MAPK13
SCHEMBL6102319 0.80 MAPT (0.53) ALDH1A1PTGS1PTGS2MAPK13MAPK12
SCHEMBL7217081 0.80 PTGS2 (0.62) ALDH1A1NR1I3PTGS1PTGS2MAPK13
SCHEMBL1429286 0.79 ALDH1A1 (0.67) ALDH1A1NR1I3MAPK13MAPK12MAPK11
SCHEMBL22342514 0.77 ALDH1A1 (0.54) ALDH1A1NR1I3MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819127-A1 IMIDAZO [1,2-a]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-01-21 EP disclosed
WO-1996031509-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-10-10 WO disclosed