SCHEMBL694710

SCHEMBL694710

Fc1cccc(-c2n[nH]c3cc[c]cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 8/20 0.48
NTRK1 P04629 1/20 0.44
HTR7 P34969 1/20 0.44
AURKA O14965 1/20 0.43
TTK P33981 2/20 0.40
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK10 P53779 1/20 0.40
TDO2 P48775 1/20 0.40
FADS1 O60427 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
MAP2K7 O14733 2/20 0.39
NOTUM Q6P988 1/20 0.39
CLK2 P49760 1/20 0.39

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 0.82 PIM1 (0.52) MAP2K4AURKAIDO1KDM4ETDO2
SCHEMBL695357 0.81 MAP2K4 (0.45) MAP2K4NTRK1HTR7TTKIDO1
SCHEMBL694496 0.81 ALDH1A1 (0.61) MAP2K4AURKATTKIDO1KDM4E
SCHEMBL695280 0.81 TRPA1 (0.52) MAP2K4NTRK1AURKATTKIDO1
SCHEMBL2860957 0.80 AURKA (0.66) MAP2K4HTR7AURKATTKIDO1
SCHEMBL695800 0.79 USP7 (0.53) AURKA
SCHEMBL6615346 0.75 HSP90AA1 (0.41) NTRK1FADS1MAPK1
SCHEMBL27871836 0.75 IDO1 (0.65) MAP2K4NTRK1TTKIDO1CLK2
SCHEMBL14516332 0.75 AURKA (0.59) MAP2K4NTRK1HTR7AURKATTK
SCHEMBL4153296 0.75 CLK2 (0.52) MAP2K4NTRK1IDO1MAP2K7CLK2

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 8 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
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed