SCHEMBL12463229

SCHEMBL12463229

CCOc1c(CN2CCN(S(C)(=O)=O)CC2)nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1NCCO

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.57
PIK3CA P42336 10/20 0.44
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12463118 0.88 MTOR (0.73) MTORPIK3CA
SCHEMBL12462998 0.82 MTOR (0.75) MTORPIK3CA
SCHEMBL13718196 0.82 MTOR (0.85) MTOR
SCHEMBL12463097 0.76 MTOR (0.49) MTORKDM4E
SCHEMBL12462999 0.76 ABCC4 (0.48) MTORPIK3CA
SCHEMBL12463381 0.76 MTOR (0.65) MTORPIK3CA
SCHEMBL12462985 0.76 MTOR (0.60) MTORPIK3CA
SCHEMBL12463348 0.76 MTOR (0.50) MTORPIK3CA
SCHEMBL12462773 0.75 MTOR (0.73) MTOR
SCHEMBL12463227 0.74 MTOR (0.40) MTOR

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-2011080568-A2 NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2011-07-07 WO disclosed