SCHEMBL1830707

SCHEMBL1830707

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2cc(C)nc(Cl)n2)[C@@H]3C)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.60
PIK3CA P42336 2/20 0.54
CYP3A4 P08684 1/20 0.54
PIK3CG P48736 1/20 0.52

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
SCHEMBL1832509 1.00 MTOR (0.60) MTORPIK3CACYP3A4PIK3CG
SCHEMBL1830710 1.00 MTOR (0.60) MTORPIK3CACYP3A4PIK3CG
SCHEMBL1830358 0.93 MTOR (0.62) MTORPIK3CACYP3A4PIK3CG
SCHEMBL1831817 0.93 MTOR (0.62) MTORPIK3CACYP3A4PIK3CG
SCHEMBL1830357 0.93 MTOR (0.62) MTORPIK3CACYP3A4PIK3CG
SCHEMBL2098384 0.90 MTOR (0.60) MTORPIK3CAPIK3CG
SCHEMBL1831996 0.90 MTOR (0.60) MTORPIK3CAPIK3CG
SCHEMBL1831977 0.90 MTOR (0.60) MTORPIK3CAPIK3CG
SCHEMBL1829647 0.90 MTOR (0.65) MTORPIK3CACYP3A4
SCHEMBL1829649 0.90 MTOR (0.65) MTORPIK3CACYP3A4

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