SCHEMBL3722849

SCHEMBL3722849

CNC(=O)Nc1ccc(-c2nc3c(c(N4CC5CCC(C4)O5)n2)CN(S(C)(=O)=O)CC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.60
PIK3CA P42336 15/20 0.60

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
SCHEMBL3723774 0.92 MTOR (0.61) MTORPIK3CA
SCHEMBL3727677 0.88 MTOR (0.63) MTORPIK3CA
SCHEMBL3717802 0.85 MTOR (0.56) MTORPIK3CA
SCHEMBL3723022 0.84 MTOR (0.54) MTORPIK3CA
SCHEMBL3720180 0.83 MTOR (0.60) MTORPIK3CA
SCHEMBL3721931 0.82 MTOR (0.52) MTORPIK3CA
SCHEMBL3717169 0.81 MTOR (0.60) MTORPIK3CA
SCHEMBL14843203 0.81 MTOR (0.71) MTORPIK3CA
SCHEMBL3721782 0.80 MTOR (0.63) MTORPIK3CA
SCHEMBL3729716 0.80 MTOR (0.55) MTORPIK3CA

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