SCHEMBL4759702

SCHEMBL4759702

Fc1ccc(Oc2n[c]c3c(-c4cc(F)ccc4F)n[nH]c3n2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.43
MAPK11 Q15759 1/20 0.38
TRPA1 O75762 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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 0.92 MAPK14 (0.44) MAPK14MAPK11LPAR2
SCHEMBL4829668 0.86 MAPK14 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4016081 0.70 MAPK14 (0.42) MAPK14MAPK11LPAR2
SCHEMBL5106562 0.70 MAPK14 (0.58) MAPK14MAPK11TRPA1
SCHEMBL4020032 0.70 MAPK14 (0.43) MAPK14MAPK11TRPA1LPAR2
SCHEMBL13764814 0.70 MAPK14 (0.46) MAPK14MAPK11TRPA1LPAR2
SCHEMBL4015197 0.70 MAPK14 (0.46) MAPK14MAPK11TRPA1LPAR2
SCHEMBL5100000 0.70 MAPK14 (0.61) MAPK14MAPK11TRPA1
SCHEMBL4495087 0.69 MAPK14 (0.64) MAPK14MAPK11LPAR2
SCHEMBL4014023 0.68 MAPK14 (0.48) MAPK14LPAR2

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 4 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 claimed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO claimed
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