SCHEMBL1831249

SCHEMBL1831249

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2nccc(OC)n2)C3)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.84
CYP3A4 P08684 5/20 0.84
RPTOR Q8N122 5/20 0.84
MLST8 Q9BVC4 5/20 0.84
KCNH2 Q12809 1/20 0.69
PIK3CA P42336 1/20 0.69

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
SCHEMBL1831251 1.00 MTOR (0.84) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1833408 0.92 MTOR (1.00) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1833411 0.92 MTOR (1.00) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL2100266 0.92 MTOR (1.00) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL29921524 0.92 MTOR (1.00) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1830498 0.89 MTOR (0.83) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1837459 0.89 MTOR (0.82) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1837463 0.89 MTOR (0.82) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1837523 0.89 MTOR (0.89) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1837520 0.89 MTOR (0.89) MTORCYP3A4RPTORMLST8KCNH2

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