SCHEMBL1830007

SCHEMBL1830007

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

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.74
PIK3CA P42336 3/20 0.74
KCNH2 Q12809 1/20 0.74
CYP3A4 P08684 5/20 0.71
RPTOR Q8N122 5/20 0.71
MLST8 Q9BVC4 5/20 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
SCHEMBL1830009 1.00 MTOR (0.74) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831248 0.93 MTOR (0.75) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831250 0.93 MTOR (0.75) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1832888 0.92 MTOR (0.77) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1832896 0.92 MTOR (0.77) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1829493 0.91 MTOR (0.72) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1829495 0.91 MTOR (0.72) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL411880 0.91 MTOR (0.80) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL443311 0.91 MTOR (0.80) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831073 0.91 MTOR (0.75) MTORPIK3CAKCNH2CYP3A4RPTOR

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 5 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
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