SCHEMBL3721995

SCHEMBL3721995

O=C(Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CNC3)cc1)Nc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
PIK3CA P42336 9/20 0.67
PIK3CG P48736 7/20 0.67
PIK3CD O00329 1/20 0.67

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
SCHEMBL3720807 0.93 MTOR (0.65) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3728020 0.85 MTOR (0.66) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3723782 0.85 MTOR (0.81) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3723940 0.83 MTOR (0.61) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3722008 0.83 MTOR (0.75) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL446598 0.83 MTOR (1.00) MTORPIK3CAPIK3CG
SCHEMBL13828919 0.82 MTOR (0.79) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3133424 0.81 MTOR (0.81) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL32234 0.81 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL13828684 0.80 MTOR (0.82) 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-2010120996-A1 5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed