SCHEMBL1833633

SCHEMBL1833633

CCNC(=O)N(I)c1ccc(-c2nc3c(c(N4CCOCC4C)n2)CN(C(C)=O)CC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.74
CYP3A4 P08684 3/20 0.59
PIK3CA P42336 3/20 0.55
KCNH2 Q12809 1/20 0.53
RPTOR Q8N122 2/20 0.51
MLST8 Q9BVC4 2/20 0.51

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
SCHEMBL1830914 0.94 MTOR (0.68) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1833852 0.87 MTOR (0.59) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831705 0.85 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831698 0.85 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832107 0.85 MTOR (0.57) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831237 0.85 MTOR (0.56) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832389 0.84 MTOR (0.75) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831106 0.84 MTOR (0.58) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1829250 0.82 MTOR (0.65) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831559 0.82 MTOR (0.62) MTORCYP3A4PIK3CAKCNH2RPTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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