SCHEMBL7937487

SCHEMBL7937487

O=C(Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1)NC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.73
GAA P10253 1/20 0.53
PIK3CA P42336 4/20 0.49
PIK3CG P48736 1/20 0.49
ATR Q13535 1/20 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
SCHEMBL2632629 0.91 MTOR (0.72) MTORPIK3CA
SCHEMBL7946426 0.88 MTOR (0.69) MTORPIK3CA
SCHEMBL7945048 0.88 MTOR (0.69) MTORPIK3CA
SCHEMBL3722216 0.87 MTOR (0.82) MTORPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL15189895 0.86 MTOR (0.80) MTORPIK3CAPIK3CG
SCHEMBL1834122 0.85 MTOR (0.58) MTORPIK3CA
SCHEMBL1834119 0.85 MTOR (0.58) MTORPIK3CA
SCHEMBL412940 0.84 MTOR (1.00) MTORPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL1831687 0.83 MTOR (0.98) MTORPIK3CAPIK3CG
SCHEMBL411859 0.83 MTOR (0.60) MTORPIK3CA

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