SCHEMBL8090595

SCHEMBL8090595

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccc(O)cc3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.53
PIK3CD O00329 7/20 0.53
MTOR P42345 5/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
ATR Q13535 8/20 0.44
TAF1 P21675 3/20 0.43
PRKDC P78527 2/20 0.43
ATRIP Q8WXE1 2/20 0.43
PIK3R1 P27986 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATM Q13315 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
SCHEMBL4197784 0.96 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4199625 0.94 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4208375 0.94 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8091298 0.94 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4194076 0.94 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4208562 0.93 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4207729 0.93 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4194776 0.93 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4208704 0.93 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4203806 0.92 PIK3CA (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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