SCHEMBL1831772

SCHEMBL1831772

CC(I)NC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCNC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.60
KCNH2 Q12809 1/20 0.60
PIK3CA P42336 3/20 0.56
CYP3A4 P08684 3/20 0.55
RPTOR Q8N122 4/20 0.54
MLST8 Q9BVC4 4/20 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
SCHEMBL1834135 0.94 MTOR (0.61) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1834821 0.94 MTOR (0.58) MTORKCNH2PIK3CACYP3A4RPTOR
Hydrochloric Acid SCHEMBL3235341 0.93 MTOR (0.57) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1721199 0.93 MTOR (0.58) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1831422 0.91 MTOR (0.60) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL444090 0.90 MTOR (0.62) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL412544 0.90 MTOR (0.62) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL442164 0.87 MTOR (0.60) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL411859 0.87 MTOR (0.60) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL443771 0.87 MTOR (0.76) MTORKCNH2PIK3CACYP3A4RPTOR

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