SCHEMBL2575641

SCHEMBL2575641

Cc1c(CN2CCN(S(C)(=O)=O)CC2)sc2c(C3CNCCO3)nc(Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.43
PIK3CD O00329 8/20 0.43
PIK3CB P42338 6/20 0.43
PIK3CG P48736 6/20 0.43
MTOR P42345 3/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
PIK3R1 P27986 1/20 0.33
KDR P35968 2/20 0.32
SYK P43405 2/20 0.32
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL190594 0.75 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL30230168 0.71 PIK3CA (0.35) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2570735 0.69 PIK3CA (0.40) PIK3CAMTORPIK3R1CYP2D6HRH1
SCHEMBL28665362 0.68 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181008 0.68 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL7942550 0.66 SLC6A3 (0.38) KCNH2
SCHEMBL16163192 0.66 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181768 0.66 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181293 0.65 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181773 0.65 PIK3CA (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed