SCHEMBL20140010

SCHEMBL20140010

N#Cc1ccccc1N1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cn4)CC3)c(Cl)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.44
RPTOR Q8N122 5/20 0.44
MLST8 Q9BVC4 5/20 0.44
TACR3 P29371 1/20 0.42
PRKAA2 P54646 1/20 0.41
CNR1 P21554 1/20 0.41
PARP1 P09874 1/20 0.40
RET P07949 4/20 0.40
SLC27A1 Q6PCB7 1/20 0.39
TP53 P04637 1/20 0.39
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
SCHEMBL20141000 0.89 MTOR (0.52) MTORRPTORMLST8TACR3PARP1
SCHEMBL20140622 0.89 MTOR (0.43) MTORRPTORMLST8TACR3PRKAA2
SCHEMBL20157126 0.87 MTOR (0.48) MTORRPTORMLST8PRKAA2PARP1
SCHEMBL20140541 0.85 MTOR (0.46) MTORRPTORMLST8TACR3PRKAA2
Trifluoroacetic Acid SCHEMBL20140494 0.84 PPARG (0.46) MTORRPTORMLST8PRKAA2PARP1
SCHEMBL20156970 0.83 PRKAA2 (0.47) MTORRPTORMLST8TACR3PRKAA2
SCHEMBL20140021 0.82 PRKAA2 (0.42) MTORRPTORMLST8TACR3PRKAA2
SCHEMBL20140837 0.80 DRD4 (0.48) MTORRPTORMLST8TACR3DRD2
SCHEMBL20157251 0.79 PARP1 (0.49) MTORRPTORMLST8PRKAA2PARP1
SCHEMBL20140388 0.79 MTOR (0.47) 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