SCHEMBL39348

SCHEMBL39348

O=C1CCNc2c1c(C1CC3CCC(C1)N3C(=O)c1cccnn1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.52
RPTOR Q8N122 5/20 0.52
MLST8 Q9BVC4 5/20 0.52
CHEK1 O14757 5/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNA1 P78396 4/20 0.32
HTR2B P41595 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
SCHEMBL31381 0.88 MTOR (0.56) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15026243 0.82 MTOR (0.48) MTORRPTORMLST8CHEK1
SCHEMBL31031 0.82 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL30716 0.81 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15026255 0.81 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL45689 0.80 MTOR (0.47) MTORRPTORMLST8
SCHEMBL10234778 0.80 MTOR (0.46) MTORRPTORMLST8
SCHEMBL45585 0.80 MTOR (0.46) MTORRPTORMLST8
SCHEMBL15007372 0.80 MTOR (0.46) MTORRPTORMLST8
SCHEMBL45018 0.80 MTOR (0.45) MTORRPTORMLST8

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