SCHEMBL45694

SCHEMBL45694

CC(CO)(CO)C(=O)N1C2CCC1CC(c1nc3c(-c4ccc(-c5ccc(O)c(F)c5)nc4)cnn3c3c1C(=O)CCN3)C2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
RPTOR Q8N122 4/20 0.40
MLST8 Q9BVC4 4/20 0.40
BRAF P15056 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL45733 0.92 MTOR (0.39) MTORRPTORMLST8BRAF
SCHEMBL15026249 0.87 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL15026245 0.86 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL39908 0.85 MTOR (0.45) MTORRPTORMLST8ALK
SCHEMBL45631 0.83 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL12460899 0.82 MTOR (0.40) MTORRPTORMLST8BRAFALK
SCHEMBL15026281 0.81 MAPK9 (0.36) MTORRPTORMLST8
SCHEMBL45725 0.81 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL45392 0.79 MTOR (0.40) MTORRPTORMLST8
SCHEMBL15026247 0.79 MTOR (0.42) MTORRPTORMLST8BRAF

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-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed