SCHEMBL7816145

SCHEMBL7816145

CCc1nc2cc(-c3ccc4c(c3)CN(c3ncnc5c3CC(C)(C)CC5)CCO4)cnc2s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.34
PIK3CD O00329 10/20 0.34
PIK3CG P48736 9/20 0.34
PIK3CB P42338 8/20 0.34
PDE4B Q07343 5/20 0.32
PDE4A P27815 4/20 0.32
PDE4D Q08499 4/20 0.32
GAK O14976 1/20 0.31
MTOR P42345 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL7816149 0.91 PDE4B (0.34) PIK3CAPIK3CDPIK3CGPIK3CBPDE4B
SCHEMBL856936 0.90 PIK3CD (0.37) PIK3CAPIK3CDPIK3CGPIK3CBPDE4B
SCHEMBL7819952 0.86 NPC1 (0.39) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL3758729 0.84 PIK3CA (0.33) PIK3CAPIK3CDPIK3CGPIK3CBPDE4B
SCHEMBL856291 0.83 USP2 (0.34) PIK3CAPIK3CDPIK3CGPIK3CBGAK
SCHEMBL3763766 0.82 PIK3CA (0.32) PIK3CAPDE4BPDE4APDE4D
SCHEMBL856623 0.82 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL3758825 0.81 PDE10A (0.41) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL856543 0.81 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15407251 0.81 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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