SCHEMBL1835901

SCHEMBL1835901

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(CCOC)[C@@H]3CCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.60
PIK3CA P42336 1/20 0.54

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
SCHEMBL1830312 1.00 MTOR (0.60) MTORPIK3CA
SCHEMBL1830311 1.00 MTOR (0.60) MTORPIK3CA
SCHEMBL1830033 0.89 MTOR (0.63) MTORPIK3CA
SCHEMBL1830031 0.89 MTOR (0.63) MTORPIK3CA
SCHEMBL1835676 0.89 MTOR (0.63) MTORPIK3CA
SCHEMBL15189893 0.86 MTOR (0.64) MTORPIK3CA
SCHEMBL1833167 0.83 MTOR (0.68) MTORPIK3CA
SCHEMBL1831988 0.83 MTOR (0.68) MTORPIK3CA
SCHEMBL1831987 0.83 MTOR (0.68) MTORPIK3CA
SCHEMBL1831792 0.81 MTOR (0.67) MTORPIK3CA

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