SCHEMBL8097440

SCHEMBL8097440

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCNCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.52
MTOR P42345 7/20 0.52
PIK3CD O00329 5/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
ATR Q13535 11/20 0.51
KCNH2 Q12809 3/20 0.51
ATRIP Q8WXE1 3/20 0.51
TAF1 P21675 1/20 0.51
PIK3R1 P27986 1/20 0.51
PRKDC P78527 1/20 0.51
ATM Q13315 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
SCHEMBL3937238 0.96 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3936117 0.94 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3935424 0.94 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3929795 0.94 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4195278 0.92 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4201998 0.89 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4204776 0.88 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4197784 0.88 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4197968 0.88 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4196700 0.88 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed