SCHEMBL1837568

SCHEMBL1837568

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCCOCC4)n2)CCN(c2nc(C)cc(C)n2)C3)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.76
CYP3A4 P08684 1/20 0.61
RPTOR Q8N122 1/20 0.61
MLST8 Q9BVC4 1/20 0.61
PIK3CA P42336 1/20 0.61

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
SCHEMBL1835618 0.97 MTOR (0.81) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1830848 0.92 MTOR (0.75) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1831354 0.91 MTOR (0.74) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1838052 0.90 MTOR (0.94) MTORCYP3A4RPTORMLST8
SCHEMBL15190049 0.90 MTOR (0.72) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1828874 0.90 MTOR (0.72) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1836646 0.88 MTOR (0.79) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1838957 0.88 MTOR (0.79) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1832496 0.88 MTOR (0.78) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL15189950 0.87 MTOR (0.80) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP claimed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US claimed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
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