SCHEMBL699588

SCHEMBL699588

FC(F)(F)c1ccc(-c2n[nH]c3cc[c]cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.54
MAPK1 P28482 3/20 0.54
MAPK6 Q16659 3/20 0.54
MAPKAPK3 Q16644 2/20 0.54
MAPKAPK2 P49137 1/20 0.54
MAPKAPK5 Q8IW41 1/20 0.46
TRPA1 O75762 3/20 0.46
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
PIK3CA P42336 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL699881 0.83 PIM1 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL695357 0.83 MAP2K4 (0.45) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL694496 0.79 ALDH1A1 (0.61) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL1513026 0.78 IDO1 (0.65) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL695280 0.76 TRPA1 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL9900165 0.76 MAPK1 (0.33) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL27544468 0.72 MKNK1 (0.41) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL694710 0.72 MAP2K4 (0.48) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL695800 0.72 USP7 (0.53) TRPA1LRRK2SCN5ASCN9A
SCHEMBL5775137 0.71 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed