SCHEMBL1706187

SCHEMBL1706187

C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc(N(S)C(=O)Nc3ccc(F)cc3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.68
PIK3CD O00329 9/20 0.68
MTOR P42345 8/20 0.66
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
SCHEMBL737814 0.92 PIK3CA (0.68) PIK3CAPIK3CDMTOR
SCHEMBL1705922 0.91 PIK3CA (0.66) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3602937 0.89 PIK3CA (0.81) PIK3CAPIK3CDMTOR
SCHEMBL736871 0.87 PIK3CA (0.72) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3601945 0.87 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738142 0.84 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3050571 0.84 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3606749 0.84 PIK3CA (0.69) PIK3CAPIK3CDMTOR
SCHEMBL3605939 0.84 PIK3CA (0.73) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13257213 0.83 PIK3CA (0.80) PIK3CAPIK3CDMTOR

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
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP claimed