SCHEMBL7943828

SCHEMBL7943828

Cc1cc(Cl)nc(N2CCc3c(nc(-c4ccc(NC(N)=O)cc4)nc3N3CCOCC3)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.58
CYP3A4 P08684 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47

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
SCHEMBL1830848 0.89 MTOR (0.75) MTORCYP3A4RPTORMLST8
SCHEMBL7946867 0.87 MTOR (0.54) MTORCYP3A4
SCHEMBL1832966 0.84 MTOR (0.77) MTORCYP3A4RPTORMLST8
SCHEMBL7936477 0.83 MTOR (0.64) MTORCYP3A4
SCHEMBL1835618 0.83 MTOR (0.81) MTORCYP3A4RPTORMLST8
SCHEMBL7946429 0.82 MTOR (0.56) MTORRPTORMLST8
SCHEMBL7944571 0.82 MTOR (0.56) MTORRPTORMLST8
SCHEMBL7943773 0.82 MTOR (0.59) MTOR
SCHEMBL1831354 0.81 MTOR (0.74) MTORCYP3A4RPTORMLST8
SCHEMBL1837568 0.80 MTOR (0.76) MTORCYP3A4RPTORMLST8

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