SCHEMBL8566547

SCHEMBL8566547

COC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.55
AKT2 P31751 2/20 0.55
PTGS2 P35354 14/20 0.55
PTGS1 P23219 1/20 0.55
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL213843 0.89 PTGS2 (0.58) AKT1AKT2PTGS2PTGS1
SCHEMBL8560259 0.82 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8564918 0.82 PTGS2 (0.60) AKT1AKT2PTGS2PTGS1
SCHEMBL8564646 0.81 PTGS2 (0.58) AKT1AKT2PTGS2PTGS1NR1H2
SCHEMBL8562195 0.80 PTGS2 (0.55) AKT1AKT2PTGS2PTGS1
SCHEMBL8563504 0.79 PTGS2 (0.54) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8568965 0.79 PTGS2 (0.56) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8566479 0.79 PTGS2 (0.56) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8564319 0.79 PTGS2 (0.59) PTGS2PTGS1NR1H2NR1H3
SCHEMBL13743031 0.75 GRIA1 (0.45) AKT1AKT2PTGS2PTGS1

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