SCHEMBL2098747

SCHEMBL2098747

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ccc(Cl)nn2)C3)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.80
RPTOR Q8N122 5/20 0.80
MLST8 Q9BVC4 5/20 0.80
CYP3A4 P08684 5/20 0.75
PIK3CA P42336 3/20 0.71
KCNH2 Q12809 1/20 0.71

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 1.00 MTOR (0.80) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1832918 0.92 MTOR (0.81) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1832914 0.92 MTOR (0.81) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1832531 0.91 MTOR (0.79) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1832528 0.91 MTOR (0.79) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1829372 0.89 MTOR (0.86) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1829373 0.89 MTOR (0.86) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2098256 0.89 MTOR (1.00) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL2098255 0.89 MTOR (1.00) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1832504 0.87 MTOR (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP claimed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US claimed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed