SCHEMBL13860746

SCHEMBL13860746

CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(CNC(=O)O)cc1OCC2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.70
PIK3CG P48736 5/20 0.65
PIK3CD O00329 5/20 0.65

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
SCHEMBL11967494 0.93 PIK3CA (0.70) PIK3CAPIK3CGPIK3CD
SCHEMBL1485319 0.89 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL1485457 0.89 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL15488254 0.88 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL12689262 0.88 PIK3CA (0.67) PIK3CAPIK3CGPIK3CD
SCHEMBL1485585 0.87 PIK3CA (0.70) PIK3CAPIK3CGPIK3CD
SCHEMBL1485736 0.87 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL12693041 0.87 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL11967508 0.87 PIK3CA (0.75) PIK3CAPIK3CGPIK3CD
SCHEMBL18631858 0.86 PIK3CA (0.68) PIK3CAPIK3CGPIK3CD

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-2012156379-A1 PIK3/P110α INHIBITORS FOR PREVENTION OF RESTENOSIS BY APPLICATION AS AN IMPLANT COATING Universität Zürich (CH) 2012-11-22 WO disclosed