SCHEMBL695846

SCHEMBL695846

Cc1[c]ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.41
HTR7 P34969 1/20 0.41
NOTUM Q6P988 1/20 0.40
TTK P33981 4/20 0.39
NTRK1 P04629 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPK6 Q16659 1/20 0.39
PIM1 P11309 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 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
SCHEMBL694532 0.83 MAP2K4 (0.42) MAP2K4HTR7NTRK1MAPK1MAPKAPK2
SCHEMBL694856 0.83 ALDH1A1 (0.47) MAP2K4TTKMAPK1MAPKAPK2MAPK6
SCHEMBL694710 0.73 MAP2K4 (0.48) MAP2K4HTR7NOTUMTTKNTRK1
SCHEMBL2861737 0.72 MAP2K4 (0.43) MAP2K4HTR7NOTUMTTKNTRK1
SCHEMBL4152871 0.71 MAP2K4 (0.46) MAP2K4HTR7NOTUMTTKNTRK1
SCHEMBL3775299 0.71 TDO2 (0.47) MAP2K4HTR7TTKNTRK1PIM1
SCHEMBL2863456 0.71 TTK (0.48) MAP2K4HTR7TTKNTRK1
SCHEMBL2857597 0.70 MAP2K4 (0.41) MAP2K4HTR7TTKNTRK1
SCHEMBL2860957 0.70 AURKA (0.66) MAP2K4HTR7TTKMAPK1MAPK6
SCHEMBL2863072 0.70 TTK (0.47) MAP2K4HTR7TTKNTRK1

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 6 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
WO-2010124108-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
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed