SCHEMBL7946855

SCHEMBL7946855

CC1c2nc(-c3ccc(NC(N)=O)cc3)nc(N3CCOC[C@@H]3C)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.59
RPTOR Q8N122 8/20 0.52
MLST8 Q9BVC4 8/20 0.52
PIK3CA P42336 4/20 0.50
KCNH2 Q12809 1/20 0.50
PIK3R1 P27986 2/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL7945254 1.00 MTOR (0.59) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL1832991 0.90 MTOR (0.73) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL1832990 0.90 MTOR (0.73) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL2632815 0.90 MTOR (0.73) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL1833628 0.90 MTOR (0.73) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL1832993 0.90 MTOR (0.73) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL7942557 0.89 MTOR (0.54) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL7942555 0.89 MTOR (0.54) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL7942731 0.83 MTOR (0.55) MTORRPTORMLST8PIK3CAKCNH2
SCHEMBL7947515 0.83 MTOR (0.55) MTORRPTORMLST8PIK3CAKCNH2

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