SCHEMBL8200875

SCHEMBL8200875

CCN1COc2c(F)c(F)c(N)c3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.33
CACNA1F O60840 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
FOXO1 Q12778 1/20 0.30

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
SCHEMBL8134319 0.86 KDM4E (0.40) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8906595 0.80 KDM4E (0.41) POLBTOP2ATOP2B
SCHEMBL8201213 0.78 KDM4E (0.35) GSK3B
SCHEMBL9233183 0.77 KDM4E (0.45) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9235745 0.75 KDM4E (0.46) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8201251 0.75 GSK3B (0.34) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8203360 0.75 GSK3B (0.33) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7611821 0.74 KDM4E (0.40)
SCHEMBL9233837 0.74 KDM4E (0.54) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9232505 0.73 KDM4E (0.44) GSK3BCACNA1FPOLBMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682030-B1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 2000-07-05 EP disclosed
EP-0683169-A1 8-Amino-pyrido 1,2,3-de 1,3,4 benzoxadiazine derivatives, and antibacterial agents containing them BAYER AG (DE) 1995-11-22 EP disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed