SCHEMBL1833028

SCHEMBL1833028

CC(C)N1CCc2c(nc(-c3ccc(Nc4nccc(=O)[nH]4)cc3)nc2N2CCOCC2C)C1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.78
KCNH2 Q12809 1/20 0.64
RPTOR Q8N122 5/20 0.51
MLST8 Q9BVC4 5/20 0.51
CYP3A4 P08684 4/20 0.51
PIK3CA P42336 1/20 0.49

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
SCHEMBL1833024 1.00 MTOR (0.78) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL2098616 0.89 MTOR (0.65) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL2098609 0.89 MTOR (0.65) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL1831491 0.88 MTOR (0.78) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL1831496 0.88 MTOR (0.78) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL10221117 0.88 MTOR (0.77) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL1831626 0.87 MTOR (1.00) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL1831624 0.87 MTOR (1.00) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL1829587 0.87 MTOR (0.65) MTORKCNH2RPTORMLST8CYP3A4
SCHEMBL1829583 0.87 MTOR (0.65) MTORKCNH2RPTORMLST8CYP3A4

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