SCHEMBL2339747

SCHEMBL2339747

Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1CCC(=O)N2c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
FABP1 P07148 1/20 0.35
PTGS2 P35354 1/20 0.35
BRD4 O60885 1/20 0.33
MAPK13 O15264 6/20 0.32
MAPK12 P53778 6/20 0.32
MAPK11 Q15759 6/20 0.32
KCNH2 Q12809 1/20 0.32
DHODH Q02127 1/20 0.31
HTR7 P34969 1/20 0.30
RIPK1 Q13546 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL3282205 0.86 MAPK14 (0.59) MAPK14FABP1
SCHEMBL3526112 0.83 HSP90AB1 (0.41) MAPK14FABP1MAPK13MAPK12MAPK11
SCHEMBL1065104 0.83 HSP90AB1 (0.42) MAPK14FABP1MAPK13MAPK12MAPK11
SCHEMBL5225468 0.79 MAPK14 (0.60) MAPK14FABP1MAPK11
SCHEMBL5227603 0.77 MAPK14 (0.53) MAPK14FABP1PTGS2BRD4MAPK13
SCHEMBL1065731 0.76 MAPK14 (0.40) MAPK14HTR7
SCHEMBL5229479 0.74 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5227756 0.74 MAPK14 (0.54) MAPK14FABP1PTGS2MAPK13MAPK12
SCHEMBL1059157 0.73 MAPK14 (0.49) MAPK14FABP1PTGS2BRD4MAPK13
SCHEMBL5229767 0.72 MAPK14 (0.61) MAPK14MAPK11

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
EP-1333833-B1 Novel trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compound for the treatment of CSBP/p38 kinase mediated diseases GLAXOSMITHKLINE LLC (US) 2011-08-24 EP claimed