SCHEMBL3603314

SCHEMBL3603314

C[C@H]1COCCN1c1cc(CS(=O)(=O)c2ccc(F)cc2)nc(-c2ccc(CNC(N)=O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.55
PIK3CD O00329 7/20 0.55
MTOR P42345 7/20 0.54
GRM2 Q14416 1/20 0.43
FPR2 P25090 2/20 0.43
SCN9A Q15858 2/20 0.43
CHEK1 O14757 3/20 0.42
ATR Q13535 3/20 0.42
PDCD1 Q15116 3/20 0.42
ATRIP Q8WXE1 3/20 0.42
CD274 Q9NZQ7 3/20 0.42

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
SCHEMBL3606324 0.86 PIK3CA (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3592485 0.84 PIK3CA (0.79) PIK3CAPIK3CDMTOR
SCHEMBL3603311 0.84 PIK3CA (0.66) PIK3CAPIK3CDMTOR
SCHEMBL3602667 0.83 PIK3CA (0.70) PIK3CAPIK3CDMTOR
SCHEMBL3601699 0.83 PIK3CA (0.79) PIK3CAPIK3CDMTOR
SCHEMBL3603843 0.82 PIK3CA (0.66) PIK3CAPIK3CDMTOR
SCHEMBL3597409 0.82 PIK3CA (0.64) PIK3CAPIK3CDMTOR
SCHEMBL3604012 0.82 PIK3CA (0.64) PIK3CAPIK3CDMTOR
SCHEMBL3605953 0.81 PIK3CA (0.72) PIK3CAPIK3CDMTOR
SCHEMBL3584434 0.81 PIK3CA (0.63) PIK3CAPIK3CDMTOR

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-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed