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SCHEMBL3932822

SCHEMBL3932822

CNC(=O)Nc1ccc(-c2nc(N3[C@@H](C)COC[C@@H]3C)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1.C[C@H]1COC[C@H](C)N1c1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.52
▸ PIK3CD O00329 13/20 0.52
▸ MTOR P42345 6/20 0.52
▸ PIK3CG P48736 2/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ ATR Q13535 1/20 0.37

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
SCHEMBL3927525 0.97 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3928752 0.93 PIK3CA (0.45) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3935752 0.91 PIK3CA (0.47) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3936280 0.90 PIK3CD (0.52) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3927461 0.90 PIK3CD (0.52) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3926002 0.88 PIK3CA (0.67) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3927837 0.87 PIK3CA (0.58) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL4206920 0.87 PIK3CA (0.45) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3928227 0.85 PIK3CA (0.45) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3937903 0.85 PIK3CD (0.69) PIK3CAPIK3CDMTORPIK3CGPIK3CB

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