SCHEMBL3264971

SCHEMBL3264971

O=S(=O)(O)c1cc(-c2cc(N3CCOCC3)nc(NCCc3cccnc3)n2)c2cc[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.68
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
NAPEPLD Q6IQ20 1/20 0.42
OGA O60502 2/20 0.41
MTOR P42345 2/20 0.40
ATR Q13535 2/20 0.40
PRKDC P78527 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL1028951 0.93 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGOGAMTOR
SCHEMBL13336824 0.92 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL1025387 0.91 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL1027127 0.88 PIK3CA (0.68) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL1026996 0.88 PIK3CA (0.68) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL1028146 0.88 PIK3CA (0.71) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL13336861 0.87 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGOGAMTOR
SCHEMBL1026999 0.86 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL1028960 0.86 PIK3CA (0.69) PIK3CAPIK3CBPIK3CGNAPEPLDOGA
SCHEMBL1026861 0.86 PIK3CA (0.69) PIK3CAPIK3CBPIK3CGOGARAD52

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
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 EP disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO disclosed