SCHEMBL7945347

SCHEMBL7945347

C[C@H]1COCCN1c1nc(-c2ccc(NC(N)=O)cc2)nc2c1CCN1C(=O)CCC21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.56
RPTOR Q8N122 9/20 0.56
MLST8 Q9BVC4 9/20 0.56
CYP3A4 P08684 3/20 0.53
PIK3CA P42336 3/20 0.51
KCNH2 Q12809 2/20 0.51
RICTOR Q6R327 1/20 0.50
MAPKAP1 Q9BPZ7 1/20 0.50

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
SCHEMBL7943384 1.00 MTOR (0.56) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2632772 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2097504 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1833760 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2625438 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1830210 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1831009 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2625444 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1833585 0.89 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL7936331 0.87 MTOR (0.57) MTORRPTORMLST8CYP3A4PIK3CA

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