SCHEMBL20140622

SCHEMBL20140622

N#Cc1ccccc1N1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cn4)CC3)c(F)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.43
RPTOR Q8N122 4/20 0.43
MLST8 Q9BVC4 4/20 0.43
PARP1 P09874 1/20 0.43
DPP4 P27487 1/20 0.42
RET P07949 7/20 0.41
PRKAA2 P54646 1/20 0.41
SLC27A1 Q6PCB7 2/20 0.40
TACR3 P29371 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL20141473 0.90 MTOR (0.50) MTORRPTORMLST8PARP1DPP4
SCHEMBL20157126 0.89 MTOR (0.48) MTORRPTORMLST8PARP1RET
SCHEMBL20140010 0.89 MTOR (0.44) MTORRPTORMLST8PARP1RET
SCHEMBL20142366 0.85 MTOR (0.46) MTORRPTORMLST8PARP1DPP4
Trifluoroacetic Acid SCHEMBL20140494 0.85 PPARG (0.46) MTORRPTORMLST8PARP1RET
SCHEMBL20141355 0.85 PARP1 (0.50) MTORRPTORMLST8PARP1DRD2
SCHEMBL20157251 0.82 PARP1 (0.49) MTORRPTORMLST8PARP1PRKAA2
SCHEMBL20140597 0.82 MTOR (0.43) MTORRPTORMLST8PARP1DPP4
SCHEMBL20139999 0.81 DRD4 (0.48) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140669 0.81 PARP1 (0.45) MTORRPTORMLST8PARP1RET

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed