SCHEMBL4607302

SCHEMBL4607302

O=C(NCC(=O)N1CCN(c2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1)[C@@H]1CCCN1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.66
PIK3CD O00329 16/20 0.66
PIK3CA P42336 14/20 0.66
PIK3CG P48736 12/20 0.66
PIK3R1 P27986 1/20 0.52

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
SCHEMBL4523399 0.96 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4842864 0.89 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4605353 0.88 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4779043 0.86 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4573086 0.86 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4729543 0.86 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3589159 0.85 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4126952 0.84 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4126955 0.84 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4467646 0.84 PIK3CB (0.86) 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-2008032033-A1 4-BENZIMIDAZOLYL-2-MORPHOLINO-6-PIPERAZINYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed