SCHEMBL7948780

SCHEMBL7948780

C[C@H]1COCCN1c1nc(-c2ccc(NC(N)=O)cc2)nc2c1CCN(CC(C)(C)CO)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 3/20 0.59
KCNH2 Q12809 1/20 0.59
RPTOR Q8N122 5/20 0.57
MLST8 Q9BVC4 5/20 0.57
CYP3A4 P08684 5/20 0.57

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
SCHEMBL1831601 0.91 MTOR (0.73) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1832758 0.91 MTOR (0.73) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL7943616 0.91 MTOR (0.61) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL7943473 0.86 MTOR (0.61) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1834752 0.85 MTOR (0.77) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1834756 0.85 MTOR (0.77) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL413793 0.84 MTOR (0.63) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL442762 0.84 MTOR (0.63) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1833012 0.83 MTOR (0.75) MTORPIK3CAKCNH2RPTORMLST8
SCHEMBL1833014 0.83 MTOR (0.75) 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