SCHEMBL9339561

SCHEMBL9339561

CSc1ccc(-c2nc(S)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.64
MAPK13 O15264 8/20 0.64
MAPK12 P53778 8/20 0.64
MAPK11 Q15759 8/20 0.64
ALOX5 P09917 6/20 0.64
GCGR P47871 6/20 0.64
MAPK9 P45984 3/20 0.64
PRKD3 O94806 2/20 0.64
MAP4K4 O95819 2/20 0.64
FRK P42685 2/20 0.64
CSNK1A1 P48729 2/20 0.64
CSNK1D P48730 2/20 0.64
GSK3B P49841 2/20 0.64
PRKD2 Q9BZL6 2/20 0.64
CLK4 Q9HAZ1 2/20 0.64
LCK P06239 1/20 0.64
RET P07949 1/20 0.64
PRKACA P17612 1/20 0.64
RPS6KB1 P23443 1/20 0.64
MATK P42679 1/20 0.64

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
SCHEMBL11371516 0.92 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL9435546 0.86 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5098384 0.80 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4285506 0.80 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL9340175 0.79 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6468970 0.79 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL1388020 0.78 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL22170123 0.78 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6466495 0.78 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL11502957 0.78 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321490-B1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORP (US) 1994-06-22 EP disclosed
EP-0321490-A4 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1990-05-14 EP disclosed
EP-0321490-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1989-06-28 EP disclosed
WO-1988001167-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
WO-1988001169-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
US-4175127-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1979-11-20 US disclosed