SCHEMBL3228564

SCHEMBL3228564

Cc1cc(-c2nc3c(c(N4CCOCC4C)n2)CCN(C(=O)O)C3)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.53
MTOR P42345 15/20 0.53
PIK3CA P42336 2/20 0.53
KCNH2 Q12809 1/20 0.53
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
CYP3A4 P08684 4/20 0.51
PIK3R1 P27986 1/20 0.48
RICTOR Q6R327 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48

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
SCHEMBL1830198 0.90 MTOR (0.61) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL1830197 0.90 MTOR (0.61) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL15190027 0.84 PIK3CA (0.62) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL442089 0.83 MTOR (0.52) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL15189922 0.83 ATR (0.64) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL2098266 0.82 MTOR (0.65) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL1832533 0.82 MTOR (0.65) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL15189796 0.82 MTOR (0.53) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL3235002 0.82 ATR (0.54) ATRMTORPIK3CAKCNH2RPTOR
SCHEMBL15190013 0.81 MTOR (0.57) MTORPIK3CAKCNH2RPTORMLST8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed