SCHEMBL1835618

SCHEMBL1835618

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(C)n2)C3)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.81
PIK3CA P42336 2/20 0.64
CYP3A4 P08684 1/20 0.64
RPTOR Q8N122 1/20 0.64
MLST8 Q9BVC4 1/20 0.64
PIK3CG P48736 1/20 0.62

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
SCHEMBL1837568 0.97 MTOR (0.76) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1830848 0.95 MTOR (0.75) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1831354 0.94 MTOR (0.74) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL15190049 0.93 MTOR (0.72) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1828874 0.93 MTOR (0.72) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1832496 0.90 MTOR (0.78) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1834920 0.90 MTOR (0.72) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1833109 0.89 MTOR (1.00) MTORCYP3A4RPTORMLST8
SCHEMBL1830951 0.89 MTOR (0.82) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL1830953 0.89 MTOR (0.82) MTORPIK3CACYP3A4RPTORMLST8

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