Sugi Predict

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SCHEMBL20159153

SCHEMBL20159153

Cc1c(CN2CCN(c3ccccc3C#N)CC2)cc(C(=O)N2CCN(c3ccc(F)cn3)CC2)n1C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.61
▸ RPTOR Q8N122 6/20 0.61
▸ MLST8 Q9BVC4 6/20 0.61
▸ RET P07949 8/20 0.42
▸ PPARG P37231 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC27A1 Q6PCB7 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40

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
SCHEMBL20159112 0.89 MTOR (0.58) MTORRPTORMLST8PPARGSLC27A1
SCHEMBL20158990 0.88 MTOR (0.77) MTORRPTORMLST8
SCHEMBL20159082 0.88 MTOR (0.75) MTORRPTORMLST8DRD2DRD3
SCHEMBL20158988 0.87 MTOR (0.73) MTORRPTORMLST8DRD2DRD3
SCHEMBL20156964 0.85 MTOR (0.49) MTORRPTORMLST8RETPPARG
SCHEMBL20159152 0.85 MTOR (0.65) MTORRPTORMLST8DRD2DRD3
SCHEMBL20159217 0.85 MTOR (0.74) MTORRPTORMLST8DRD2DRD3
SCHEMBL20140388 0.85 MTOR (0.47) MTORRPTORMLST8RETPPARG
SCHEMBL20159156 0.84 MTOR (0.64) MTORRPTORMLST8DRD2DRD3
SCHEMBL20139894 0.84 MTOR (0.47) MTORRPTORMLST8RETSLC27A1

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed