SCHEMBL1832763

SCHEMBL1832763

CCC1COCCN1c1nc(-c2ccc(N(I)C(=O)Nc3ccon3)cc2)nc2c1CCN(c1ncccn1)C2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.67
RPTOR Q8N122 5/20 0.56
MLST8 Q9BVC4 5/20 0.56
CYP3A4 P08684 4/20 0.56

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
SCHEMBL1834817 0.89 MTOR (0.80) MTORRPTORMLST8CYP3A4
SCHEMBL1834816 0.89 MTOR (0.80) MTORRPTORMLST8CYP3A4
SCHEMBL1832196 0.87 MTOR (0.69) MTORRPTORMLST8CYP3A4
SCHEMBL1836677 0.87 MTOR (0.70) MTORRPTORMLST8CYP3A4
SCHEMBL1837521 0.82 MTOR (0.52) MTORRPTORMLST8CYP3A4
SCHEMBL1831179 0.81 MTOR (0.42) MTORCYP3A4
SCHEMBL1833682 0.80 MTOR (1.00) MTORRPTORMLST8CYP3A4
SCHEMBL1833684 0.80 MTOR (1.00) MTORRPTORMLST8CYP3A4
SCHEMBL1830774 0.80 MTOR (0.77) MTORRPTORMLST8CYP3A4
SCHEMBL1830776 0.80 MTOR (0.77) MTORRPTORMLST8CYP3A4

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
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed