SCHEMBL12166175

SCHEMBL12166175

Nc1nc(-c2cccc(O)c2)nc2cc(CN3CCN(CCO)C(=O)C3)sc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.57
PIK3CD O00329 9/20 0.48
PIK3CB P42338 7/20 0.48
PIK3CG P48736 7/20 0.48
ADORA1 P30542 3/20 0.37
ADORA2A P29274 3/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL190610 0.86 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL959505 0.73 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12166181 0.72 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGADORA1
SCHEMBL964018 0.69 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1086835 0.68 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2469458 0.68 PIK3CD (0.68) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL960078 0.68 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1088829 0.68 PIK3CD (0.53) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166370 0.68 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGADORA1
SCHEMBL29439930 0.68 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed