SCHEMBL12463246

SCHEMBL12463246

C=C/C=C(\C=C/N)NC(=O)Nc1ccc(-c2ncc(OCCN3CCOCC3)c(NCCO)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.54

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
SCHEMBL12463249 0.83 MTOR (0.73) MTOR
SCHEMBL12463124 0.81 MTOR (0.74) MTOR
SCHEMBL12463247 0.78 MTOR (0.50) MTOR
SCHEMBL12463245 0.77 MTOR (0.53) MTOR
SCHEMBL12463001 0.75 MTOR (0.55) MTOR
SCHEMBL13718467 0.71 MTOR (1.00) MTOR
SCHEMBL13718871 0.70 MTOR (1.00) MTOR
SCHEMBL12463253 0.70 MTOR (0.42) MTOR
SCHEMBL20016705 0.70 EPHX2 (0.46)
SCHEMBL12463043 0.70 MTOR (0.70) 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