SCHEMBL7469019

SCHEMBL7469019

CS(=O)(=O)OCCc1cccc(C(=O)c2c(-c3ccc(F)cc3)n[nH]c2N)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
VNN1 O95497 1/20 0.36
MAP2K4 P45985 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
SGK1 O00141 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
SCHEMBL7812428 0.88 MAPK14 (0.55) MAPK14VNN1MAP2K4
SCHEMBL5323714 0.84 MAPK14 (0.55) MAPK14VNN1MAP2K4
SCHEMBL7474456 0.84 MAPK14 (0.52) MAPK14MAP2K4MRGPRX4
SCHEMBL1383396 0.84 MAPK14 (0.52) MAPK14MAP2K4
SCHEMBL7469241 0.83 MAPK14 (0.40) MAPK14MAP2K4MRGPRX4
Hydrochloric Acid SCHEMBL7473782 0.83 MAPK14 (0.51) MAPK14MAP2K4
SCHEMBL7476872 0.82 MAPK14 (0.45) MAPK14MAP2K4
SCHEMBL1385251 0.82 MAPK14 (0.55) MAPK14MAP2K4
SCHEMBL7470777 0.81 MAPK1 (0.40) MAPK14
SCHEMBL7803286 0.78 MAPK14 (0.54) MAPK14

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-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO disclosed