SCHEMBL7476872

SCHEMBL7476872

Nc1[nH]nc(-c2ccc(F)cc2)c1C(=O)c1cccc(CCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.45
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
MAP2K4 P45985 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK6 Q16659 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL7474456 0.94 MAPK14 (0.52) MAPK14CYP4F2CYP4A11MAP2K4ABL1
SCHEMBL1383396 0.89 MAPK14 (0.52) MAPK14MAP2K4MAPK1MAPK6
Hydrochloric Acid SCHEMBL7473782 0.88 MAPK14 (0.51) MAPK14MAP2K4MAPK1MAPK6
SCHEMBL7470777 0.88 MAPK1 (0.40) MAPK14MAPK1NAMPT
SCHEMBL7473101 0.87 S1PR1 (0.41) MAPK14CYP4F2CYP4A11MAP2K4ABL1
SCHEMBL7812428 0.85 MAPK14 (0.55) MAPK14MAP2K4MAPK1
SCHEMBL5323714 0.85 MAPK14 (0.55) MAPK14MAP2K4MAPK1MAPK6
SCHEMBL1385251 0.85 MAPK14 (0.55) MAPK14MAP2K4
SCHEMBL7803286 0.85 MAPK14 (0.54) MAPK14
SCHEMBL5322574 0.83 MAPK14 (0.61) 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