SCHEMBL1383396

SCHEMBL1383396

NCCc1cccc(C(=O)c2c(-c3ccc(F)cc3)n[nH]c2N)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
TAAR1 Q96RJ0 2/20 0.40
MAP2K4 P45985 2/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPK6 Q16659 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36

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
Hydrochloric Acid SCHEMBL7473782 0.99 MAPK14 (0.51) MAPK14TAAR1MAP2K4MAOBMAPK1
SCHEMBL7474456 0.91 MAPK14 (0.52) MAPK14MAP2K4MAPK1MAPK6
SCHEMBL7476872 0.89 MAPK14 (0.45) MAPK14MAP2K4MAPK1MAPK6
SCHEMBL5323714 0.87 MAPK14 (0.55) MAPK14MAP2K4MAPK1MAPK6HSD17B14
SCHEMBL7812428 0.87 MAPK14 (0.55) MAPK14MAP2K4MAPK1
SCHEMBL1385251 0.86 MAPK14 (0.55) MAPK14MAP2K4
SCHEMBL7470777 0.86 MAPK1 (0.40) MAPK14TAAR1MAPK1
SCHEMBL1383366 0.84 MAPK14 (0.57) MAPK14MAPK1
SCHEMBL7469019 0.84 MAPK14 (0.43) MAPK14MAP2K4
SCHEMBL5762375 0.83 PBRM1 (0.44) MAP2K4MAPK1MAPK6HSD17B14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
WO-2007096151-A2 INHIBITORS OF P38-KINASE FOR TREATMENT OF PULMONARY HYPERTENSION NOVARTIS AG (CH) 2007-08-30 WO claimed
JP-2007521278-A 2007-08-02 JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed
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
WO-2007096151-A2 INHIBITORS OF P38-KINASE FOR TREATMENT OF PULMONARY HYPERTENSION NOVARTIS AG (CH) 2007-08-30 WO disclosed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP disclosed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO disclosed
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