SCHEMBL1830997

SCHEMBL1830997

CNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncccn2)C3)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.84
RPTOR Q8N122 5/20 0.84
MLST8 Q9BVC4 5/20 0.84
CYP3A4 P08684 4/20 0.84
KCNH2 Q12809 1/20 0.62
PIK3CA P42336 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
SCHEMBL1830999 1.00 MTOR (0.84) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1830790 0.92 MTOR (0.85) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1830787 0.92 MTOR (0.85) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1833411 0.92 MTOR (1.00) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1835332 0.92 MTOR (0.81) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1835333 0.92 MTOR (0.81) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1833408 0.92 MTOR (1.00) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL2100266 0.92 MTOR (1.00) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL29921524 0.92 MTOR (1.00) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL2099598 0.91 MTOR (0.81) MTORRPTORMLST8CYP3A4KCNH2

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