SCHEMBL7944090

SCHEMBL7944090

C[C@H]1COCCN1c1nc(-c2ccc(NC(N)=O)cc2)nc2c1CCN(c1cc(Cl)ncn1)C2

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
CYP3A4 P08684 4/20 0.70
RPTOR Q8N122 5/20 0.61
MLST8 Q9BVC4 5/20 0.61
KCNH2 Q12809 1/20 0.55
PIK3CA P42336 1/20 0.55

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
SCHEMBL1829372 0.90 MTOR (0.86) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1829373 0.90 MTOR (0.86) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL7945331 0.86 MTOR (0.71) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL2099598 0.85 MTOR (0.81) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL2099593 0.85 MTOR (0.81) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1831561 0.84 MTOR (0.85) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1831558 0.84 MTOR (0.85) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1833066 0.82 MTOR (0.82) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1833069 0.82 MTOR (0.82) MTORCYP3A4RPTORMLST8KCNH2
SCHEMBL1831968 0.82 MTOR (1.00) MTORCYP3A4RPTORMLST8KCNH2

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