SCHEMBL5377634

SCHEMBL5377634

Cc1ccc2c(-c3ccc(S(N)(=O)=O)cc3)c(-c3cccc(F)c3)nn2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PTGS1 P23219 10/20 0.53
MAPK14 Q16539 3/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
CYP2C9 P11712 2/20 0.42
PTGES O14684 1/20 0.40
HDAC3 O15379 1/20 0.40
PDPK1 O15530 1/20 0.40
CA12 O43570 1/20 0.40
PDE5A O76074 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL5371166 0.90 PTGS2 (0.66) PTGS2PTGS1MAPK14CSNK1A1CSNK1D
SCHEMBL6595243 0.87 MAPK14 (0.53) PTGS2PTGS1MAPK14PDPK1CA1
SCHEMBL5377112 0.87 PTGS1 (0.54) PTGS2PTGS1MAPK14CSNK1A1CSNK1D
SCHEMBL5366953 0.85 MAPK14 (0.54) PTGS2PTGS1MAPK14CYP2C9PDPK1
SCHEMBL5375485 0.83 PTGS2 (0.55) PTGS2PTGS1MAPK14CSNK1A1CSNK1D
SCHEMBL5373901 0.77 PTGS2 (0.59) PTGS2PTGS1MAPK14
SCHEMBL5368778 0.77 PTGS2 (0.67) PTGS2PTGS1MAPK14CSNK1A1CSNK1D
SCHEMBL5369160 0.76 PTGS1 (0.68) PTGS2PTGS1MAPK14CSNK1A1CSNK1D
SCHEMBL5365336 0.76 MAPK14 (0.56) PTGS2PTGS1MAPK14CSNK1A1CSNK1D
SCHEMBL6594280 0.74 PTGS1 (0.57) PTGS2PTGS1MAPK14CSNK1A1CSNK1D

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 12 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
CN-1263755-C Pyrazolopyridine derivatives as selective COX-2 inhibitors GLAXO GROUP LTD (GB) 2006-07-12 CN claimed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP claimed
CN-1332741-A Pyrazolopyridine derivatives as selective COX-2 inhibitors GLAZO GROUP LTD (GB) 2002-01-23 CN 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
CN-1263755-C Pyrazolopyridine derivatives as selective COX-2 inhibitors GLAXO GROUP LTD (GB) 2006-07-12 CN disclosed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP disclosed
CN-1332741-A Pyrazolopyridine derivatives as selective COX-2 inhibitors GLAZO GROUP LTD (GB) 2002-01-23 CN 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