SCHEMBL20140669

SCHEMBL20140669

N#Cc1ccccc1N1CCN(Cc2c(F)ccc(C(=O)N3CCN(c4ccc(F)cn4)CC3)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
SLC27A1 Q6PCB7 4/20 0.43
MTOR P42345 4/20 0.42
RPTOR Q8N122 4/20 0.42
MLST8 Q9BVC4 4/20 0.42
PRKAA2 P54646 1/20 0.41
TACR3 P29371 1/20 0.40
RET P07949 3/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL20140739 0.89 PARP1 (0.51) PARP1MTORRPTORMLST8TACR3
SCHEMBL20140021 0.87 PRKAA2 (0.42) PARP1SLC27A1MTORRPTORMLST8
SCHEMBL20157251 0.86 PARP1 (0.49) PARP1MTORRPTORMLST8PRKAA2
SCHEMBL20139894 0.82 MTOR (0.47) PARP1SLC27A1MTORRPTORMLST8
SCHEMBL20156970 0.82 PRKAA2 (0.47) PARP1MTORRPTORMLST8PRKAA2
SCHEMBL20140541 0.82 MTOR (0.46) PARP1SLC27A1MTORRPTORMLST8
SCHEMBL20139934 0.82 PPARG (0.47) PARP1SLC27A1MTORRPTORMLST8
SCHEMBL20156964 0.82 MTOR (0.49) PARP1SLC27A1MTORRPTORMLST8
SCHEMBL20140388 0.81 MTOR (0.47) PARP1SLC27A1MTORRPTORMLST8
SCHEMBL20140622 0.81 MTOR (0.43) PARP1SLC27A1MTORRPTORMLST8

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