SCHEMBL3810231

SCHEMBL3810231

CC(C)Oc1ncc(-c2ccc3c(c2)CN(c2ncnc4c2CC(C)(C)CC4)CCO3)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.40
PIK3CA P42336 12/20 0.38
PIK3CG P48736 10/20 0.38
PIK3CB P42338 8/20 0.38
MTOR P42345 1/20 0.37
PIK3R1 P27986 6/20 0.35
PI4KA P42356 1/20 0.34

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
SCHEMBL861780 0.92 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL861251 0.91 PIK3CD (0.40) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL861949 0.89 PIK3CA (0.40) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL856735 0.89 PIK3CD (0.40) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL861614 0.88 PIK3CD (0.38) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL861306 0.88 PIK3CD (0.35) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL3797807 0.88 PIK3CA (0.36) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL855650 0.88 PIK3CA (0.37) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL3810593 0.87 PIK3CD (0.35) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL861903 0.87 PIK3CD (0.35) PIK3CDPIK3CAPIK3CGPIK3CBMTOR

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
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed