SCHEMBL16683552

SCHEMBL16683552

C[S+]([O-])Nc1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)cnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.51
TLR8 Q9NR97 6/20 0.43
TLR7 Q9NYK1 6/20 0.43
PIK3CD O00329 8/20 0.37
PIK3CA P42336 6/20 0.37
PIK3CB P42338 3/20 0.37
PIK3R2 O00459 1/20 0.37
MTOR P42345 2/20 0.36
TLR9 Q9NR96 1/20 0.36
LRRK2 Q5S007 1/20 0.35
ROCK1 Q13464 1/20 0.33
PIK3R1 P27986 1/20 0.32

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
SCHEMBL460697 0.86 PIK3CG (0.51) PIK3CGTLR8TLR7PIK3CDPIK3CA
SCHEMBL16667382 0.80 PIK3CG (0.51) PIK3CGTLR8TLR7PIK3CDPIK3CA
SCHEMBL463595 0.77 PIK3CD (0.48) PIK3CGTLR8TLR7PIK3CDPIK3CA
SCHEMBL10187722 0.77 PIK3CG (0.49) PIK3CGTLR8TLR7PIK3CDPIK3CA
SCHEMBL459270 0.75 PIK3CD (0.60) PIK3CGTLR8TLR7PIK3CDPIK3CA
SCHEMBL715647 0.74 PIK3CD (0.65) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R2
SCHEMBL462221 0.74 PIK3CD (0.65) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R2
SCHEMBL462220 0.74 PIK3CD (0.65) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R2
SCHEMBL16667320 0.72 PIK3CD (0.46) PIK3CGTLR8TLR7PIK3CDPIK3CA
SCHEMBL16667453 0.72 PIK3CG (0.47) PIK3CGTLR8TLR7PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed