SCHEMBL7944911

SCHEMBL7944911

C[C@H]1COCCN1c1nc(-c2ccc(NC(N)=O)cc2)nc2c1CN(S(C)(=O)=O)CC2

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.80
CYP3A4 P08684 3/20 0.61
PIK3CA P42336 3/20 0.56
KCNH2 Q12809 1/20 0.54
RPTOR Q8N122 1/20 0.52
MLST8 Q9BVC4 1/20 0.52

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
SCHEMBL7945330 0.92 MTOR (0.68) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831099 0.89 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831102 0.89 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL412933 0.85 MTOR (0.62) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL442113 0.85 MTOR (0.62) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL7945469 0.84 MTOR (0.66) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2099238 0.83 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831368 0.83 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1829474 0.83 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1829476 0.83 MTOR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed