SCHEMBL7218261

SCHEMBL7218261

NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.57
AKT2 P31751 1/20 0.57
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
PTGS2 P35354 7/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PTGS1 P23219 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
NTRK1 P04629 1/20 0.46
CDK4 P11802 1/20 0.46
CDK2 P24941 1/20 0.46
CA7 P43166 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP7 Q93009 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL7222836 0.91 ALDH1A1 (0.54) AKT1AKT2CA1CA2CA12
SCHEMBL7218447 0.88 USP7 (0.60) AKT1AKT2CA1CA2CA12
SCHEMBL7218068 0.87 PLAU (0.46) AKT1AKT2CA1CA2CA12
SCHEMBL7222063 0.87 CA2 (0.49) AKT1AKT2CA1CA2CA12
SCHEMBL7218055 0.86 PTGS2 (0.64) AKT1AKT2PTGS2NPC1RAB9A
SCHEMBL7217176 0.85 PTGS2 (0.50) AKT1AKT2CA1CA2PTGS2
SCHEMBL7221568 0.85 GRIA1 (0.53) AKT1AKT2CA1CA2CA12
SCHEMBL13599904 0.84 AKT1 (0.66) AKT1AKT2NPC1RAB9AHSP90AA1
SCHEMBL19953862 0.84 AKT1 (0.66) AKT1AKT2NPC1RAB9AHSP90AA1
SCHEMBL5347018 0.84 NPC1 (0.66) AKT1AKT2NPC1RAB9AHSP90AA1

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
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