SCHEMBL3923873

SCHEMBL3923873

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccc(F)cc3)CCC2)nc(-c2ccc(NC(=O)NC(C)(C)O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.53
PIK3CD O00329 8/20 0.53
MTOR P42345 6/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
ATR Q13535 1/20 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
SCHEMBL3927145 0.93 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935185 0.93 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929091 0.92 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929809 0.90 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935499 0.90 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3928492 0.89 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926422 0.88 MTOR (0.63) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3923130 0.88 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13970159 0.88 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3936377 0.87 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed