SCHEMBL4782818

SCHEMBL4782818

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.71
PIK3CD O00329 17/20 0.63
PIK3CA P42336 14/20 0.63
PIK3CG P48736 9/20 0.63
PIK3R1 P27986 3/20 0.63
PIK3C2B O00750 1/20 0.56
MTOR P42345 1/20 0.56

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
SCHEMBL29434916 1.00 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28716939 1.00 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL12178183 0.91 PIK3CD (0.76) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15008819 0.87 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308119 0.86 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308126 0.86 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6523363 0.86 PIK3CB (0.76) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6517150 0.86 PIK3CB (0.76) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2957295 0.86 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308252 0.85 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-2008032060-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERAZINYLPYRIMIDINE DERIVATIVES AS P13K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed