SCHEMBL14748422

SCHEMBL14748422

C=C[C@@H]1COC[C@H](C)N1c1cc(-c2cccc(O)c2)nc(N2CCOCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.64
MTOR P42345 1/20 0.53
PIK3CB P42338 5/20 0.47
PIK3CG P48736 4/20 0.47
PIK3CD O00329 1/20 0.45

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
SCHEMBL1822158 0.91 PIK3CA (0.73) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1822331 0.80 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL1821814 0.76 PIK3CA (0.86) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL1820803 0.75 PIK3CA (0.81) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL14096751 0.74 PIK3CA (0.75) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1820302 0.73 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL2469687 0.73 PIK3CA (0.79) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL1820834 0.72 PIK3CA (0.75) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL1821190 0.71 PIK3CA (0.81) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1820209 0.71 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CGPIK3CD

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-2316831-B1 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer NOVARTIS AG (CH) 2013-03-06 EP disclosed