SCHEMBL3937115

SCHEMBL3937115

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.61
MTOR P42345 7/20 0.61
PIK3CD O00329 6/20 0.61
PIK3CB P42338 1/20 0.61
PIK3CG P48736 1/20 0.61
ATR Q13535 12/20 0.51
ATRIP Q8WXE1 4/20 0.49
KCNH2 Q12809 3/20 0.49
TAF1 P21675 3/20 0.49
PRKDC P78527 2/20 0.49
PIK3R1 P27986 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL3927127 0.87 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3938990 0.87 PIK3CA (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3928559 0.86 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3926974 0.86 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3937118 0.86 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3930595 0.85 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3926693 0.85 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3928171 0.85 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3936112 0.85 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3935167 0.84 PIK3CA (0.75) 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 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