SCHEMBL8097550

SCHEMBL8097550

C[C@H]1COCCN1c1cc(C[S+](C)[O-])nc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.55
PIK3CD O00329 10/20 0.55
MTOR P42345 6/20 0.54
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL8090036 0.89 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4201695 0.88 PIK3CA (0.58) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL761613 0.86 PIK3CA (0.74) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8215015 0.85 PIK3CA (0.75) PIK3CAPIK3CDMTOR
SCHEMBL4201757 0.85 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL11926803 0.84 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8218848 0.83 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8214611 0.83 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4207128 0.82 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8098040 0.82 PIK3CA (0.59) 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
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007749-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed