SCHEMBL4590440

SCHEMBL4590440

CC(C)(C)OC(=O)NCC(=O)N1CC=C(c2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.55
PIK3CD O00329 17/20 0.55
PIK3CA P42336 15/20 0.55
PIK3CG P48736 13/20 0.55
PIK3R1 P27986 3/20 0.47
PIK3C2B O00750 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL4132761 0.95 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4148037 0.89 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4138827 0.84 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4129500 0.83 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4524096 0.82 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4147920 0.81 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4143775 0.80 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4126952 0.79 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4126955 0.79 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4590287 0.77 PIK3CB (0.52) 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-2008032089-A1 4-BENZIMIDAZ0LYL-2-M0RPH0LIN0-6-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed