SCHEMBL18599136

SCHEMBL18599136

C[S+]([O-])N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.73
PIK3R1 P27986 18/20 0.73
PIK3CD O00329 8/20 0.73
PIK3CB P42338 8/20 0.73
PIK3CG P48736 8/20 0.73
MTOR P42345 8/20 0.73

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
SCHEMBL2146765 0.89 PIK3CA (0.80) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL2147875 0.88 PIK3CA (0.79) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL2147453 0.85 PIK3CA (0.73) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL2146849 0.84 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL14716370 0.82 PIK3R1 (0.83) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16881784 0.82 PIK3CA (0.69) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL14716682 0.82 PIK3CA (0.94) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL14716371 0.82 PIK3CA (0.82) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL14725994 0.81 PIK3CA (0.68) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL2147209 0.81 PIK3CA (0.70) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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-2526102-B1 Inhibitors of PI3 kinase FUNDACIÓN CENTRO NAC DE INVESTIG ONCOLÓGICAS CARLOS III (ES) 2017-03-08 EP disclosed