SCHEMBL3935688

SCHEMBL3935688

Cc1n[nH]cc1NC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.51
PIK3CD O00329 7/20 0.51
MTOR P42345 5/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
ATR Q13535 3/20 0.44
TAF1 P21675 1/20 0.43
PIK3R1 P27986 1/20 0.43
PRKDC P78527 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATM Q13315 1/20 0.43
ATRIP Q8WXE1 1/20 0.43

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
SCHEMBL3924613 0.97 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935751 0.95 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3937959 0.94 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3938225 0.93 PIK3CA (0.50) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3928864 0.93 PIK3CA (0.50) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3937467 0.93 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926973 0.93 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3934654 0.93 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926537 0.92 PIK3CA (0.49) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3932817 0.92 PIK3CA (0.48) 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