SCHEMBL4589558

SCHEMBL4589558

CC1(C)CN(c2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CCN1C(=O)CN

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.64
PIK3CD O00329 15/20 0.64
PIK3CA P42336 11/20 0.64
PIK3CG P48736 7/20 0.64
PIK3R1 P27986 3/20 0.55
PIK3C2B O00750 1/20 0.52
MTOR P42345 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
SCHEMBL4880605 0.97 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4528073 0.95 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4583877 0.86 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4779382 0.86 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4588599 0.82 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4461786 0.81 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4851590 0.80 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4586123 0.79 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2951928 0.78 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4469013 0.77 PIK3CB (0.65) 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