SCHEMBL3719933

SCHEMBL3719933

CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc5c(c(N6CCOCC6)n4)CNCC5)cc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.69
PIK3CA P42336 13/20 0.69
PIK3CG P48736 3/20 0.69
PIK3CB P42338 2/20 0.69
PIK3CD O00329 1/20 0.69
PIK3C2B O00750 1/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
PIK3R1 P27986 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
SCHEMBL3725356 0.95 MTOR (0.68) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3795978 0.85 MTOR (0.65) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL18431650 0.84 MTOR (0.66) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3722933 0.84 MTOR (0.55) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3725520 0.84 MTOR (0.68) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3796880 0.83 MTOR (0.67) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3721618 0.83 MTOR (0.68) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL13828809 0.83 MTOR (0.81) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3721950 0.83 MTOR (0.57) MTORPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL3720834 0.83 MTOR (0.61) MTORPIK3CAPIK3CGPIK3CBPIK3CD

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-2010120991-A1 5, 6, 7, 8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR, PI3, AND HSMG-1 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed