SCHEMBL3934684

SCHEMBL3934684

Cc1n[nH]cc1NC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C3(S(C)(=O)=O)CCCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.51
PIK3CD O00329 6/20 0.51
MTOR P42345 5/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
ATR Q13535 8/20 0.49
ATRIP Q8WXE1 3/20 0.48
KCNH2 Q12809 2/20 0.48
TAF1 P21675 1/20 0.48
PIK3R1 P27986 1/20 0.48
PRKDC P78527 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL3924871 0.97 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926774 0.91 ATR (0.49) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3932817 0.90 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3924613 0.90 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929879 0.90 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3936408 0.90 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929791 0.90 PIK3CA (0.65) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3923957 0.90 ATR (0.51) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3925208 0.90 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935458 0.89 PIK3CA (0.61) 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