SCHEMBL20159158

SCHEMBL20159158

Cc1c(CN2CCN(c3ccccc3C#N)CC2)cc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)n1C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.63
RPTOR Q8N122 6/20 0.63
MLST8 Q9BVC4 6/20 0.63
TACR3 P29371 1/20 0.45
GRM5 P41594 2/20 0.43
DRD4 P21917 4/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL20159152 0.92 MTOR (0.65) MTORRPTORMLST8TACR3DRD4
SCHEMBL20159156 0.91 MTOR (0.64) MTORRPTORMLST8TACR3DRD4
SCHEMBL20159110 0.91 MTOR (0.57) MTORRPTORMLST8GRM5DRD2
SCHEMBL20158990 0.90 MTOR (0.77) MTORRPTORMLST8
SCHEMBL20159160 0.89 MTOR (0.61) MTORRPTORMLST8DRD4DRD2
SCHEMBL20159082 0.88 MTOR (0.75) MTORRPTORMLST8TACR3DRD4
SCHEMBL20159090 0.87 MTOR (0.71) MTORRPTORMLST8TACR3DRD4
SCHEMBL20158993 0.87 MTOR (0.64) MTORRPTORMLST8DRD4DRD2
SCHEMBL20159131 0.85 MTOR (0.65) MTORRPTORMLST8TACR3DRD4
SCHEMBL20158989 0.85 MTOR (0.72) MTORRPTORMLST8DRD4DRD2

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