SCHEMBL1831597

SCHEMBL1831597

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(C(=O)C(C)(C)N)C3)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.76
PIK3CA P42336 3/20 0.76
KCNH2 Q12809 1/20 0.76
RPTOR Q8N122 5/20 0.73
MLST8 Q9BVC4 5/20 0.73
CYP3A4 P08684 5/20 0.73

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
SCHEMBL1831595 1.00 MTOR (0.76) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL411904 0.94 MTOR (0.78) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL446151 0.94 MTOR (0.78) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1830616 0.93 MTOR (0.79) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1832549 0.93 MTOR (0.79) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1830614 0.93 MTOR (0.79) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1833118 0.92 MTOR (0.75) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1833172 0.92 MTOR (0.75) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL443683 0.91 MTOR (0.81) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL2099489 0.91 MTOR (0.78) MTORPIK3CAKCNH2RPTORMLST8

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