SCHEMBL7946426

SCHEMBL7946426

O=C(Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1)N[C@H]1CCC[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.69
PIK3CA P42336 2/20 0.47

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
SCHEMBL7945048 1.00 MTOR (0.69) MTORPIK3CA
SCHEMBL2100197 0.88 MTOR (0.56) MTORPIK3CA
SCHEMBL2100193 0.88 MTOR (0.56) MTORPIK3CA
SCHEMBL7937487 0.88 MTOR (0.73) MTORPIK3CA
SCHEMBL2632629 0.84 MTOR (0.72) MTORPIK3CA
SCHEMBL3722216 0.84 MTOR (0.82) MTORPIK3CA
Hydrochloric Acid SCHEMBL15189895 0.83 MTOR (0.80) MTORPIK3CA
SCHEMBL2097820 0.83 MTOR (0.70) MTOR
SCHEMBL2098299 0.83 MTOR (0.70) MTOR
SCHEMBL412940 0.81 MTOR (1.00) 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-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed