SCHEMBL2098366

SCHEMBL2098366

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(C2CCCCC2)C3)cc1

nearest known ligand 0.98

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.98
PIK3CA P42336 3/20 0.87
CYP3A4 P08684 5/20 0.78
KCNH2 Q12809 1/20 0.75
RPTOR Q8N122 5/20 0.72
MLST8 Q9BVC4 5/20 0.72

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
SCHEMBL1837877 1.00 MTOR (0.98) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL2099068 0.99 MTOR (1.00) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL2099067 0.99 MTOR (1.00) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL1832580 0.95 MTOR (0.91) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL1836729 0.95 MTOR (0.91) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL1829492 0.95 MTOR (0.91) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL2094753 0.95 MTOR (0.91) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL1833518 0.95 MTOR (0.91) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL1833520 0.95 MTOR (0.91) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL1837446 0.94 MTOR (0.90) MTORPIK3CACYP3A4KCNH2RPTOR

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