SCHEMBL1830655

SCHEMBL1830655

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

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.80
KCNH2 Q12809 1/20 0.80
PIK3CA P42336 3/20 0.75
RPTOR Q8N122 5/20 0.72
MLST8 Q9BVC4 5/20 0.72
CYP3A4 P08684 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
SCHEMBL2098631 1.00 MTOR (0.80) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1830526 1.00 MTOR (0.80) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL446653 0.95 MTOR (0.81) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL412597 0.95 MTOR (0.81) MTORKCNH2PIK3CARPTORMLST8
Formic Acid SCHEMBL444049 0.93 MTOR (0.77) MTORKCNH2PIK3CARPTORMLST8
Formic Acid SCHEMBL444051 0.93 MTOR (0.77) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL2099011 0.93 MTOR (0.75) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL15190018 0.93 MTOR (0.77) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1830660 0.93 MTOR (0.75) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1830204 0.93 MTOR (0.77) MTORKCNH2PIK3CARPTORMLST8

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