SCHEMBL1383363

SCHEMBL1383363

Nc1[nH]nc(-c2ccc(F)cc2)c1C(=O)c1cccc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.55
KMO O15229 1/20 0.48
PIM1 P11309 1/20 0.46
HDAC1 Q13547 1/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
ABCB1 P08183 2/20 0.42
CYP11B2 P19099 1/20 0.42
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP2K4 P45985 1/20 0.41
DYRK1A Q13627 2/20 0.41
CDK7 P50613 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DHODH Q02127 1/20 0.40
WNT1 P04628 1/20 0.40

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
SCHEMBL7815848 0.89 KMO (0.48) MAPK14KMOPIM1ABL1F2
SCHEMBL7479297 0.88 MAPK14 (0.54) MAPK14KMOPIM1HDAC1ABL1
Hydrochloric Acid SCHEMBL7483144 0.87 MAPK14 (0.53) MAPK14KMOPIM1HDAC1ABL1
SCHEMBL7481701 0.86 CA9 (0.52) MAPK14KMOPIM1DYRK1AMKNK1
SCHEMBL7473974 0.85 PTGS2 (0.47) MAPK14KMOPIM1
SCHEMBL5762375 0.83 PBRM1 (0.44) MAPTMAP2K4
SCHEMBL7476295 0.82 ABL1 (0.48) KMOPIM1ABL1BCRCYP11B2
SCHEMBL7472841 0.82 HSD17B14 (0.44) MAP2K4
SCHEMBL7476723 0.81 PARP1 (0.40) MAPK14MAPTKMT2AMAP2K4MKNK1
SCHEMBL7480868 0.81 NPY5R (0.41) KMT2AMAP2K4

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