SCHEMBL7218478

SCHEMBL7218478

CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.60
PTGS1 P23219 4/20 0.60
GRIA1 P42261 1/20 0.54
CSNK1A1 P48729 5/20 0.48
CSNK1D P48730 5/20 0.48
PRKD3 O94806 4/20 0.48
MAPK9 P45984 4/20 0.48
PRKD2 Q9BZL6 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
MAP4K4 O95819 3/20 0.48
CSNK1G2 P78368 3/20 0.48
TAOK1 Q7L7X3 3/20 0.48
MINK1 Q8N4C8 3/20 0.48
MAP3K20 Q9NYL2 3/20 0.48
CSNK1G3 Q9Y6M4 3/20 0.48
GSK3B P49841 3/20 0.48
MATK P42679 2/20 0.48
FLT4 P35916 2/20 0.48
FRK P42685 2/20 0.48
GSK3A P49840 2/20 0.48

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
SCHEMBL7221208 0.89 PTGS2 (0.59) PTGS2PTGS1GRIA1MAPK1KDM4E
SCHEMBL7221055 0.88 GRIA1 (0.54) PTGS2PTGS1GRIA1CSNK1A1CSNK1D
SCHEMBL12781591 0.87 GRIA1 (0.62) GRIA1CSNK1A1CSNK1DPRKD3MAPK9
SCHEMBL7216301 0.86 GAA (0.56) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL3522362 0.83 GRIA1 (0.58) GRIA1CSNK1A1CSNK1DPRKD3MAPK9
SCHEMBL7217081 0.83 PTGS2 (0.62) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL8565114 0.83 PTGS2 (0.62) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL7215562 0.83 PTGS2 (0.50) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL3524010 0.81 PRKD3 (0.59) GRIA1CSNK1A1CSNK1DPRKD3MAPK9
SCHEMBL7217007 0.79 PTGS2 (0.52) PTGS2PTGS1TUBB4ATUBBTUBA3C

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