SCHEMBL699731

SCHEMBL699731

FC(F)(F)c1ccc(-c2cc3c[c]ccc3[nH]2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
CYP19A1 P11511 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
KCNH2 Q12809 2/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
KIT P10721 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ITK Q08881 2/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL707204 0.82 CYP19A1 (0.54) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL694550 0.80 HPGDS (0.44) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL694758 0.79 CCNB2 (0.43)
SCHEMBL694207 0.76 LOXL2 (0.47) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL695386 0.73 CYP1A1 (0.45) CYP19A1
SCHEMBL695181 0.73 NPSR1 (0.37)
SCHEMBL693516 0.72 KDM4E (0.42) KCNH2CA12CA1CA2CA9
SCHEMBL695489 0.72 SCN2A (0.47)
SCHEMBL693900 0.72 CYP19A1 (0.44) CYP19A1
SCHEMBL694356 0.71 CYP19A1 (0.68) CYP19A1

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