SCHEMBL3929809

SCHEMBL3929809

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NC(C)(C)O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.55
PIK3CD O00329 7/20 0.55
MTOR P42345 4/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
ATR Q13535 4/20 0.45
TAF1 P21675 1/20 0.45
PIK3R1 P27986 1/20 0.45
PRKDC P78527 1/20 0.45
KCNH2 Q12809 1/20 0.45
ATM Q13315 1/20 0.45
ATRIP Q8WXE1 1/20 0.45

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 0.97 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935361 0.92 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926620 0.91 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929091 0.91 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3932768 0.91 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3923873 0.90 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929605 0.90 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3937770 0.89 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3932911 0.89 PIK3CA (0.66) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3925977 0.89 PIK3CA (0.55) 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 4 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 claimed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO claimed
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