SCHEMBL7812428

SCHEMBL7812428

CS(=O)(=O)CCc1cccc(C(=O)c2c(-c3ccc(F)cc3)n[nH]c2N)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
VNN1 O95497 1/20 0.38
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.34
SLC16A3 O15427 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
SCHEMBL5323714 0.92 MAPK14 (0.55) MAPK14VNN1MAPK1MAP2K4SLC16A3
SCHEMBL7469019 0.88 MAPK14 (0.43) MAPK14VNN1MAP2K4
SCHEMBL1383396 0.87 MAPK14 (0.52) MAPK14MAPK1MAP2K4
SCHEMBL7474456 0.87 MAPK14 (0.52) MAPK14MAPK1MAP2K4
Hydrochloric Acid SCHEMBL7473782 0.86 MAPK14 (0.51) MAPK14MAPK1MAP2K4
SCHEMBL7476872 0.85 MAPK14 (0.45) MAPK14MAPK1MAP2K4
SCHEMBL1385251 0.85 MAPK14 (0.55) MAPK14MAP2K4
SCHEMBL7470777 0.84 MAPK1 (0.40) MAPK14MAPK1
SCHEMBL7469241 0.81 MAPK14 (0.40) MAPK14MAP2K4
SCHEMBL7803286 0.81 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-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP claimed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO claimed
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