SCHEMBL5368685

SCHEMBL5368685

CCOc1ccc(-c2nn3cc(C)ccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.64
PTGS1 P23219 4/20 0.53
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
MAPK14 Q16539 1/20 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
SCHEMBL5368778 0.90 PTGS2 (0.67) PTGS2PTGS1CSNK1A1CSNK1DCSNK1E
SCHEMBL5364884 0.89 PTGS2 (0.54) PTGS2PTGS1CSNK1A1CSNK1DCSNK1E
SCHEMBL5369160 0.84 PTGS1 (0.68) PTGS2PTGS1CSNK1A1CSNK1DCSNK1E
SCHEMBL7693623 0.80 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5375485 0.80 PTGS2 (0.55) PTGS2PTGS1CSNK1A1CSNK1DCSNK1E
SCHEMBL6591824 0.79 PTGS2 (0.63) PTGS2PTGS1MAPK14
Gw-406381 SCHEMBL309320 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5373977 0.78 PTGS2 (0.51) PTGS2PTGS1MAPK14
Gw-406381 SCHEMBL7509921 0.77 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL5372635 0.76 PTGS2 (0.60) PTGS2PTGS1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US claimed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP claimed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP claimed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO claimed
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US disclosed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP disclosed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP disclosed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO disclosed