SCHEMBL3721141

SCHEMBL3721141

CNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(S(C)(=O)=O)C3)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.82
PIK3CA P42336 2/20 0.59
PIK3CG P48736 2/20 0.59
PIK3CD O00329 1/20 0.59

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
SCHEMBL1832258 0.90 MTOR (1.00) MTORPIK3CA
SCHEMBL3722008 0.88 MTOR (0.75) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL1836924 0.87 MTOR (0.93) MTORPIK3CA
SCHEMBL3723774 0.85 MTOR (0.61) MTORPIK3CAPIK3CD
SCHEMBL1830352 0.83 MTOR (1.00) MTORPIK3CA
SCHEMBL3721618 0.83 MTOR (0.68) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL15189828 0.83 MTOR (0.64) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3727310 0.83 MTOR (0.58) MTORPIK3CAPIK3CG
SCHEMBL3723782 0.81 MTOR (0.81) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL3719579 0.79 MTOR (0.71) 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 2 patents. 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 claimed
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