SCHEMBL7814580

SCHEMBL7814580

CSc1nc2c(c(N3CCOc4ccc(-c5cnc6nc(C)[nH]c6c5)cc4C3)n1)CC(C)(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.35
PIK3CD O00329 3/20 0.31
PIK3CB P42338 3/20 0.31
PIK3CG P48736 3/20 0.31

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
SCHEMBL859404 0.91 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8531105 0.90 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL861994 0.88 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL855923 0.88 PIK3CA (0.35) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3763058 0.88 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL856970 0.86 PIK3CA (0.34) PIK3CAPIK3CDPIK3CB
SCHEMBL855942 0.86 PIK3CA (0.34) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL856864 0.85 PIK3CA (0.35) PIK3CA
SCHEMBL15523011 0.85 PIK3CA (0.33) PIK3CA
SCHEMBL862092 0.85 PIK3CA (0.35) PIK3CAPIK3CDPIK3CBPIK3CG

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