SCHEMBL16667263

SCHEMBL16667263

CCC1CN(Cc2nnc(-c3cc(-c4cnc(OC)c(CN[SH](=O)=O)c4)cc4[nH]ncc34)o2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.46
PIK3CG P48736 9/20 0.46
PIK3CA P42336 8/20 0.46
PIK3CB P42338 8/20 0.46
PIK3R2 O00459 1/20 0.46
TLR8 Q9NR97 7/20 0.35
TLR7 Q9NYK1 7/20 0.35
PIK3R1 P27986 6/20 0.34
TLR9 Q9NR96 2/20 0.34
PIK3C3 Q8NEB9 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
SCHEMBL16667335 0.92 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667453 0.87 PIK3CG (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667441 0.87 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL459150 0.87 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667439 0.86 PIK3CD (0.43) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667395 0.86 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667334 0.85 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667221 0.85 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667413 0.85 PIK3CD (0.43) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL16667391 0.85 PIK3CD (0.49) 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