SCHEMBL694760

SCHEMBL694760

[c]1ccc2[nH]c(-c3ncccn3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.38
GSK3B P49841 1/20 0.36
CYP19A1 P11511 3/20 0.35
ROCK2 O75116 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RIPK1 Q13546 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
CHEK1 O14757 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL694241 0.82 LMNA (0.49) ITKGSK3BNPC1RAB9AAURKA
SCHEMBL694912 0.82 ITK (0.31) ITK
SCHEMBL2489128 0.78 ITK (0.57) ITKGSK3BCYP19A1NPC1RAB9A
SCHEMBL30337474 0.78 ITK (0.57) ITKGSK3BCYP19A1NPC1RAB9A
SCHEMBL693863 0.76 CLK1 (0.42) CYP19A1NPC1RAB9A
SCHEMBL694898 0.75 NPC1 (0.63) CYP19A1NPC1RAB9A
SCHEMBL694356 0.74 CYP19A1 (0.68) CYP19A1NPC1RAB9A
SCHEMBL4278217 0.74 METAP2 (0.40) GSK3BCYP19A1ROCK2
SCHEMBL4659063 0.74 KDM4E (0.50) ITKGSK3BCYP19A1NPC1RAB9A
SCHEMBL695805 0.73 MAPK1 (0.38) CYP19A1NPC1RAB9A

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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP 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
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed