SCHEMBL16136992

SCHEMBL16136992

C=C(C)N(C(=O)N(C)N)c1ccc2c(c1)OCCc1sc(-n3c(C)nn(C)c3=O)nc1-2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.36
PIK3CB P42338 10/20 0.34
PIK3CD O00329 6/20 0.34
PIK3CG P48736 5/20 0.34
MAP3K14 Q99558 5/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL12317150 0.79 NPY5R (0.40) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1484853 0.79 PIK3CA (0.39) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL12343377 0.79 BRD9 (0.51) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1484936 0.78 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL12317155 0.69 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1484670 0.69 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1484738 0.69 PIK3CA (0.46) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1484834 0.68 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1484890 0.67 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1485047 0.61 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDPIK3CG

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-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
EP-2784078-A1 Benzoxepin pi3k inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-10-01 EP disclosed