SCHEMBL7943526

SCHEMBL7943526

Cc1cc(N2CCc3c(N)nc(-c4ccc(N)cc4)nc3C2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.47
CYP3A4 P08684 2/20 0.47
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
CHRM1 P11229 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
APP P05067 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7945524 0.90 MTOR (0.47) MTORCYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL2625409 0.82 MTOR (0.71) MTORCYP3A4PIK3R1PIK3CARPTOR
SCHEMBL9951464 0.82 MTOR (0.71) MTORCYP3A4PIK3R1PIK3CARPTOR
SCHEMBL15196054 0.79 MTOR (0.60) MTORCYP3A4PIK3R1PIK3CARPTOR
SCHEMBL7946985 0.79 MTOR (0.62) MTORCYP3A4PIK3CARPTORMLST8
SCHEMBL15196056 0.74 MTOR (0.74) MTORCYP3A4PIK3R1PIK3CARPTOR
SCHEMBL10221554 0.72 MTOR (0.71) MTORCYP3A4PIK3CARPTORMLST8
SCHEMBL7936477 0.72 MTOR (0.64) MTORCYP3A4
SCHEMBL2625408 0.69 MTOR (0.69) MTORCYP3A4PIK3CARPTORMLST8
SCHEMBL1830223 0.69 MTOR (0.69) MTORCYP3A4PIK3CARPTORMLST8

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