SCHEMBL3725499

SCHEMBL3725499

CCCCCCNC(=O)N1CCc2c(nc(-c3ccc(NC(=O)NC)cc3)nc2N2CC3CCC(C2)O3)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.54
PIK3CA P42336 13/20 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
SCHEMBL3725816 0.97 MTOR (0.56) MTORPIK3CA
SCHEMBL3728850 0.90 MTOR (0.54) MTORPIK3CA
SCHEMBL3722203 0.86 MTOR (0.54) MTORPIK3CA
SCHEMBL3723157 0.85 MTOR (0.55) MTORPIK3CA
SCHEMBL3723269 0.83 MTOR (0.54) MTORPIK3CA
SCHEMBL3717802 0.78 MTOR (0.56) MTORPIK3CA
SCHEMBL2097833 0.78 MTOR (0.78) MTORPIK3CA
SCHEMBL3723022 0.77 MTOR (0.54) MTORPIK3CA
SCHEMBL2099090 0.77 MTOR (0.68) MTORPIK3CA
SCHEMBL2098135 0.76 MTOR (0.72) 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-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