SCHEMBL1831635

SCHEMBL1831635

CC(I)NC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(C=O)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.65
KCNH2 Q12809 1/20 0.65
PIK3CA P42336 3/20 0.60
RPTOR Q8N122 5/20 0.58
MLST8 Q9BVC4 5/20 0.58
CYP3A4 P08684 5/20 0.58

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
SCHEMBL1834007 0.89 MTOR (0.80) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831201 0.88 MTOR (0.78) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831199 0.88 MTOR (0.78) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL7944433 0.87 MTOR (0.61) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1830777 0.87 MTOR (0.66) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831081 0.87 MTOR (0.78) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL2098037 0.86 MTOR (0.67) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL2098035 0.86 MTOR (0.67) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831136 0.86 MTOR (0.79) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1834135 0.85 MTOR (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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