SCHEMBL1832504

SCHEMBL1832504

CCNC(=O)N(I)c1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(c2ccc(Cl)nn2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.61
RPTOR Q8N122 5/20 0.61
MLST8 Q9BVC4 5/20 0.61
CYP3A4 P08684 5/20 0.58
KCNH2 Q12809 1/20 0.53
PIK3CA P42336 1/20 0.53

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
SCHEMBL2098748 0.87 MTOR (0.80) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL2098747 0.87 MTOR (0.80) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1834324 0.86 MTOR (0.59) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1831559 0.85 MTOR (0.62) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1830914 0.84 MTOR (0.68) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1832350 0.84 MTOR (0.60) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1833852 0.83 MTOR (0.59) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1832389 0.83 MTOR (0.75) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1834336 0.82 MTOR (0.62) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1829250 0.82 MTOR (0.65) MTORRPTORMLST8CYP3A4KCNH2

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