SCHEMBL12503597

SCHEMBL12503597

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CC3COCC(C2)N3C(=O)O)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.39
RPTOR Q8N122 4/20 0.39
MLST8 Q9BVC4 4/20 0.39
DGAT1 O75907 7/20 0.38
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
RET P07949 1/20 0.31
KIF5B P33176 1/20 0.31
KDR P35968 1/20 0.31
ETV6 P41212 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCDC6 Q16204 1/20 0.31

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
SCHEMBL2732777 0.94 MTOR (0.45) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL29191 0.92 MTOR (0.37) MTORRPTORMLST8DGAT1RET
SCHEMBL15026304 0.92 MTOR (0.37) MTORRPTORMLST8DGAT1RET
SCHEMBL14316977 0.91 DGAT1 (0.36) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL12503595 0.87 MTOR (0.38) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL16086955 0.86 DGAT1 (0.41) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL12460330 0.86 MTOR (0.42) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL12461161 0.86 MTOR (0.42) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL30182 0.86 MTOR (0.42) MTORRPTORMLST8DGAT1CHEK1
SCHEMBL12503608 0.86 MTOR (0.42) MTORRPTORMLST8DGAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed