SCHEMBL4829668

SCHEMBL4829668

Fc1ccc(Oc2n[c]c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.41
MAPK11 Q15759 2/20 0.35
TRPA1 O75762 2/20 0.35
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL4760163 0.87 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL4759702 0.86 MAPK14 (0.43) MAPK14MAPK11TRPA1
SCHEMBL4014215 0.80 MAPK14 (0.58) MAPK14MAPK11
SCHEMBL4013741 0.80 MAPK14 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4839439 0.78 MAPK14 (0.46) MAPK14MAPK11TRPA1
SCHEMBL4840646 0.77 MAPK14 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4841631 0.77 MAPK14 (0.39) MAPK14MAPK11TRPA1
SCHEMBL4017606 0.76 MAPK14 (0.48) MAPK14TRPA1
SCHEMBL4013735 0.76 MAPK14 (0.40) MAPK14MAPK11TRPA1
SCHEMBL4837999 0.76 MAPK14 (0.43) MAPK14MAPK11TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed