SCHEMBL7217037

SCHEMBL7217037

NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nc3ncccn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49
AKT1 P31749 2/20 0.46
AKT2 P31751 2/20 0.46
CHRNA7 P36544 4/20 0.45
PTGS2 P35354 3/20 0.44
KLK7 P49862 1/20 0.44
PTGS1 P23219 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIA1 P42261 1/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 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
SCHEMBL7215327 0.89 AKT1 (0.49) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL7220640 0.87 ROCK2 (0.49) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL7215540 0.86 AKT1 (0.60) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL5263628 0.85 PTGS2 (0.49) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL7215376 0.83 PTGS2 (0.53) PTGS2KLK7PTGS1KDM4E
SCHEMBL7218068 0.82 PLAU (0.46) AKT1AKT2CHRNA7PTGS2PTGS1
SCHEMBL7220427 0.82 AKT1 (0.49) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL5260680 0.82 AKT1 (0.49) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL5261345 0.80 ROCK2 (0.51) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL7216642 0.80 GRIA1 (0.46) AKT1AKT2CHRNA7PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US claimed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP claimed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP claimed
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP disclosed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP disclosed