SCHEMBL8213769

SCHEMBL8213769

CN1CCC(OCc2cc(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.56
PIK3CA P42336 13/20 0.56
PIK3CG P48736 11/20 0.55
PIK3CD O00329 1/20 0.54

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
SCHEMBL3600904 0.89 PIK3CA (0.58) MTORPIK3CAPIK3CD
SCHEMBL3602032 0.80 MTOR (0.84) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3600580 0.79 PIK3CA (0.59) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3722063 0.76 PIK3CA (0.61) MTORPIK3CAPIK3CG
SCHEMBL3597059 0.75 PIK3CA (0.63) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3590940 0.75 PIK3CA (0.58) MTORPIK3CAPIK3CD
SCHEMBL11898091 0.75 PIK3CA (0.60) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3593045 0.75 PIK3CA (0.62) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8205955 0.74 MTOR (0.64) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8218959 0.74 PIK3CA (0.59) MTORPIK3CAPIK3CGPIK3CD

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed