SCHEMBL1831786

SCHEMBL1831786

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(c2ccnc(N)n2)C3)cc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.86
CYP3A4 P08684 5/20 0.86
RPTOR Q8N122 5/20 0.79
MLST8 Q9BVC4 5/20 0.79
PIK3CA P42336 2/20 0.70
KCNH2 Q12809 1/20 0.70

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
SCHEMBL1831784 1.00 MTOR (0.86) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1830264 0.94 MTOR (0.79) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1830263 0.94 MTOR (0.79) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1831346 0.92 MTOR (1.00) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1831344 0.92 MTOR (1.00) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1830351 0.92 MTOR (0.86) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1830348 0.92 MTOR (0.86) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1833035 0.90 MTOR (0.83) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1833034 0.90 MTOR (0.83) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1831485 0.90 MTOR (0.83) MTORCYP3A4RPTORMLST8PIK3CA

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