SCHEMBL7779703

SCHEMBL7779703

Cn1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.63
CSNK1D P48730 1/20 0.63
CSNK1E P49674 1/20 0.63
MAPK12 P53778 1/20 0.63
MAPK11 Q15759 1/20 0.63
MAPK14 Q16539 1/20 0.63
BRAF P15056 16/20 0.58
MAPK3 P27361 4/20 0.57
MAPK1 P28482 4/20 0.57
PDE10A Q9Y233 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL7777543 0.87 MAPK13 (0.65) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL7777723 0.87 PTGS2 (0.56) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL7779714 0.87 PTGS2 (0.52) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL7780904 0.87 PTGS2 (0.55) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL7780598 0.86 CSNK1D (0.63) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL7778034 0.84 MAPKAPK2 (0.59) MAPK14PDE10ACA1CA2
SCHEMBL5258392 0.79 MAPK13 (0.74) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL16511082 0.78 MAPK13 (0.60) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL7778042 0.78 PTGS2 (0.52) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL5698604 0.78 CSNK1D (1.00) MAPK13CSNK1DCSNK1EMAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP claimed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP claimed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US claimed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed