SCHEMBL1829622

SCHEMBL1829622

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncc(F)cn2)[C@@H]3C)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.65
CYP3A4 P08684 2/20 0.65
PIK3CA P42336 2/20 0.56
PIK3CG P48736 1/20 0.56
RPTOR Q8N122 1/20 0.55
MLST8 Q9BVC4 1/20 0.55

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
SCHEMBL1830833 1.00 MTOR (0.65) MTORCYP3A4PIK3CAPIK3CGRPTOR
SCHEMBL1829624 1.00 MTOR (0.65) MTORCYP3A4PIK3CAPIK3CGRPTOR
SCHEMBL1831233 0.92 MTOR (0.71) MTORCYP3A4PIK3CAPIK3CGRPTOR
SCHEMBL2098384 0.85 MTOR (0.60) MTORPIK3CAPIK3CG
SCHEMBL1831996 0.85 MTOR (0.60) MTORPIK3CAPIK3CG
SCHEMBL1831977 0.85 MTOR (0.60) MTORPIK3CAPIK3CG
SCHEMBL1831893 0.84 MTOR (0.64) MTORCYP3A4PIK3CA
SCHEMBL1837596 0.84 MTOR (0.64) MTORCYP3A4PIK3CA
SCHEMBL2099783 0.84 MTOR (0.64) MTORCYP3A4PIK3CA
SCHEMBL1830211 0.84 MTOR (0.84) MTORCYP3A4PIK3CARPTORMLST8

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