SCHEMBL1829223

SCHEMBL1829223

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCNC(=O)C4)n2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.75
▸ RPTOR Q8N122 2/20 0.48
▸ MLST8 Q9BVC4 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL15189892 0.90 MTOR (0.63) MTORRPTORMLST8CYP3A4
SCHEMBL1831638 0.86 MTOR (0.83) MTOR
SCHEMBL1832979 0.86 MTOR (1.00) MTOR
SCHEMBL1832095 0.84 MTOR (0.79) MTORRPTORMLST8
SCHEMBL2097833 0.83 MTOR (0.78) MTOR
SCHEMBL1837205 0.81 MTOR (0.69) MTORRPTORMLST8CYP3A4
SCHEMBL1831735 0.81 MTOR (1.00) MTOR
SCHEMBL413820 0.80 MTOR (1.00) MTOR
SCHEMBL413783 0.79 MTOR (0.90) MTORRPTORMLST8CYP3A4
SCHEMBL444565 0.79 MTOR (0.90) MTORRPTORMLST8CYP3A4

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
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