SCHEMBL5254007

SCHEMBL5254007

CN1CCN(Cc2cc3nc(-c4cccc(CCO)c4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.78
PIK3CD O00329 11/20 0.70
PIK3CB P42338 9/20 0.70
PIK3CG P48736 9/20 0.70
MTOR P42345 1/20 0.51
PIK3R1 P27986 1/20 0.51

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
SCHEMBL190749 0.93 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL29439930 0.88 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL960078 0.88 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL189616 0.86 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL960435 0.85 PIK3CA (0.95) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190347 0.84 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190353 0.83 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL959505 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL190409 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181153 0.82 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812446-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046040-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed