SCHEMBL1837596

SCHEMBL1837596

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ccnc(C)n2)[C@H]3C)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.64
CYP3A4 P08684 1/20 0.64
PIK3CA P42336 3/20 0.58
PIK3CD O00329 2/20 0.58

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
SCHEMBL1831893 1.00 MTOR (0.64) MTORCYP3A4PIK3CAPIK3CD
SCHEMBL2099783 1.00 MTOR (0.64) MTORCYP3A4PIK3CAPIK3CD
SCHEMBL1831775 0.91 MTOR (0.58) MTORCYP3A4PIK3CAPIK3CD
SCHEMBL1831817 0.90 MTOR (0.62) MTORCYP3A4PIK3CA
SCHEMBL1830357 0.90 MTOR (0.62) MTORCYP3A4PIK3CA
SCHEMBL1830358 0.90 MTOR (0.62) MTORCYP3A4PIK3CA
SCHEMBL1831461 0.90 MTOR (0.61) MTORCYP3A4PIK3CAPIK3CD
SCHEMBL1831460 0.90 MTOR (0.61) MTORCYP3A4PIK3CAPIK3CD
SCHEMBL1831459 0.90 MTOR (0.61) MTORCYP3A4PIK3CAPIK3CD
SCHEMBL1831233 0.88 MTOR (0.71) MTORCYP3A4PIK3CA

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