SCHEMBL45725

SCHEMBL45725

Cn1ccc(-c2ccc(-c3cnn4c5c(c(C6CC7CCC(C6)N7C(=O)C(C)(C)CO)nc34)C(=O)CCN5)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.40
RPTOR Q8N122 5/20 0.40
MLST8 Q9BVC4 5/20 0.40
BRAF P15056 3/20 0.31
CHEK1 O14757 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
HCRTR2 O43614 1/20 0.30

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
SCHEMBL15026245 0.94 MTOR (0.40) MTORRPTORMLST8BRAFCHEK1
SCHEMBL45584 0.92 MTOR (0.41) MTORRPTORMLST8BRAFCHEK1
SCHEMBL45630 0.85 MTOR (0.46) MTORRPTORMLST8
SCHEMBL15026279 0.84 MTOR (0.31) MTORRPTORMLST8
SCHEMBL15026276 0.81 MTOR (0.33) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL45694 0.81 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL15026249 0.80 MTOR (0.40) MTORRPTORMLST8BRAF
SCHEMBL45632 0.80 MTOR (0.42) MTORRPTORMLST8BRAF
SCHEMBL45733 0.79 MTOR (0.39) MTORRPTORMLST8BRAF
SCHEMBL17787565 0.78 MTOR (0.34) 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