SCHEMBL7217178

SCHEMBL7217178

Cc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
PIM1 P11309 1/20 0.48
GSK3B P49841 1/20 0.48
PTGS2 P35354 12/20 0.45
MAPT P10636 3/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PTGS1 P23219 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7216630 0.89 PTGS2 (0.50) ROCK2PIM1GSK3BPTGS2MAPT
SCHEMBL7218013 0.87 PTGS2 (0.50) ROCK2PIM1GSK3BPTGS2MAPT
SCHEMBL7221448 0.86 PTGS2 (0.60) ROCK2PIM1GSK3BPTGS2AKT1
SCHEMBL5263797 0.86 PTGS2 (0.60) ROCK2PIM1GSK3BPTGS2AKT1
SCHEMBL7217077 0.84 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL5261262 0.84 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL5261561 0.84 KDM4E (0.59) ROCK2PIM1GSK3BPTGS2AKT1
SCHEMBL7220519 0.84 KDM4E (0.59) ROCK2PIM1GSK3BPTGS2AKT1
SCHEMBL7220425 0.84 PTGS2 (0.49) ROCK2PIM1GSK3BPTGS2MAPT
SCHEMBL7215338 0.84 PTGS2 (0.46) PTGS2AKT1AKT2PTGS1

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 5 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