SCHEMBL1831237

SCHEMBL1831237

CC1COCCN1c1nc(-c2ccc(N(I)C(=O)NCCO)cc2)nc2c1CN(C(=O)C(C)(C)O)CC2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.56
CYP3A4 P08684 2/20 0.51
PIK3CA P42336 3/20 0.47
KCNH2 Q12809 1/20 0.47
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
ATR Q13535 1/20 0.44

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
SCHEMBL1832166 0.86 MTOR (0.72) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832169 0.86 MTOR (0.72) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1833633 0.85 MTOR (0.74) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1834496 0.83 MTOR (0.51) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832428 0.80 MTOR (0.84) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831170 0.80 MTOR (0.84) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1830914 0.79 MTOR (0.68) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL15189931 0.79 MTOR (0.76) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1833852 0.78 MTOR (0.59) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832024 0.78 MTOR (0.87) 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