SCHEMBL2690205

SCHEMBL2690205

[CH]1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.56
PIK3CA P42336 15/20 0.56
PIK3CB P42338 14/20 0.56
PIK3CG P48736 14/20 0.56
MTOR P42345 1/20 0.49

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
SCHEMBL1194341 0.88 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1194189 0.87 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4401457 0.87 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1193852 0.87 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1194119 0.87 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1194360 0.87 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1194904 0.86 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2688815 0.86 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1194302 0.85 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1194959 0.84 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CG

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
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed