SCHEMBL7942542

SCHEMBL7942542

C[C@H]1COCCN1c1nc(-c2ccc(NC(N)=O)cc2)nc2c1CCN1CCC[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.57
RPTOR Q8N122 8/20 0.57
MLST8 Q9BVC4 8/20 0.57
CYP3A4 P08684 2/20 0.55
PIK3CA P42336 2/20 0.54
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
SCHEMBL7936331 1.00 MTOR (0.57) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2632744 0.89 MTOR (0.73) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1833013 0.89 MTOR (0.73) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1830673 0.89 MTOR (0.73) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2625439 0.89 MTOR (0.73) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1833060 0.89 MTOR (0.73) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL7943384 0.87 MTOR (0.56) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL7945347 0.87 MTOR (0.56) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL7942555 0.83 MTOR (0.54) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL7942557 0.83 MTOR (0.54) 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