SCHEMBL13655305

SCHEMBL13655305

CC(C)n1c(-c2cc3c(s2)-c2ccc(N)cc2OCC3)n[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.52
PIK3CB P42338 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CG P48736 1/20 0.51
NOTUM Q6P988 1/20 0.35

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
SCHEMBL987835 0.89 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1043108 0.88 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CGNOTUM
SCHEMBL1039514 0.86 PIK3CA (0.49) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1037816 0.83 PIK3CA (0.49) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL13655399 0.79 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL12535273 0.78 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGNOTUM
SCHEMBL13655337 0.78 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL14938409 0.76 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CGNOTUM
SCHEMBL1041502 0.76 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CGNOTUM
SCHEMBL1040482 0.74 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGNOTUM

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
US-8784774-B2 Labeled molecular imaging agents and methods of use GENERAL ELECTRIC COMPANY (US) 2014-07-22 US disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed