SCHEMBL7201822

SCHEMBL7201822

C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc(Oc4ccccc4)n3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.47
CSNK1D P48730 2/20 0.47
JAK3 P52333 1/20 0.47
TGFBR1 P36897 1/20 0.46
MAPK13 O15264 7/20 0.45
MAPK12 P53778 7/20 0.45
MAPK11 Q15759 7/20 0.45
RAF1 P04049 3/20 0.45
MAPK9 P45984 3/20 0.45
GCGR P47871 4/20 0.45
ALOX5 P09917 2/20 0.45
EGFR P00533 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4586451 0.87 MAPK14 (0.51) MAPK14CSNK1DJAK3TGFBR1MAPK13
SCHEMBL4584929 0.85 MAPK14 (0.56) MAPK14CSNK1DJAK3TGFBR1MAPK13
SCHEMBL4584148 0.82 ALOX5 (0.58) MAPK14CSNK1DJAK3TGFBR1MAPK13
SCHEMBL29406707 0.81 TGFBR1 (0.64) MAPK14CSNK1DJAK3TGFBR1MAPK13
SCHEMBL7805607 0.78 MAPK14 (0.49) MAPK14MAPTL3MBTL1
SCHEMBL4553727 0.78 MAPK14 (0.59) MAPK14CSNK1DJAK3TGFBR1MAPK13
SCHEMBL4584932 0.78 MAPK14 (0.46) MAPK14CSNK1DJAK3TGFBR1MAPK13
SCHEMBL8120061 0.75 MAPK14 (0.55) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4553285 0.75 ALOX5 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4526549 0.74 TGFBR1 (0.53) MAPK14CSNK1DTGFBR1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610695-B1 Prophylaxis or treatment of CSBP/RK/p38 kinase mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed