SCHEMBL16667441

SCHEMBL16667441

COc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1CN[SH](=O)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.60
PIK3CG P48736 9/20 0.60
PIK3CA P42336 8/20 0.60
PIK3CB P42338 8/20 0.60
PIK3R2 O00459 1/20 0.60
PIK3R1 P27986 4/20 0.38
TLR8 Q9NR97 6/20 0.34
TLR7 Q9NYK1 6/20 0.34
TLR9 Q9NR96 2/20 0.34

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
SCHEMBL16667335 0.92 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667391 0.90 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16266146 0.90 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16266140 0.90 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667386 0.90 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667395 0.87 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667334 0.87 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667263 0.87 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667221 0.86 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667453 0.86 PIK3CG (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2

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 claimed