SCHEMBL20140541

SCHEMBL20140541

N#Cc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccc(F)cn4)CC3)c(Cl)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.46
RPTOR Q8N122 5/20 0.46
MLST8 Q9BVC4 5/20 0.46
SLC27A1 Q6PCB7 2/20 0.43
TACR3 P29371 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 1/20 0.42
PRKAA2 P54646 1/20 0.42
RET P07949 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL20156970 0.89 PRKAA2 (0.47) MTORRPTORMLST8TACR3PARP1
SCHEMBL20140631 0.88 MTOR (0.56) MTORRPTORMLST8TACR3ALDH1A1
SCHEMBL20156964 0.87 MTOR (0.49) MTORRPTORMLST8SLC27A1PARP1
SCHEMBL20140388 0.86 MTOR (0.47) MTORRPTORMLST8SLC27A1PARP1
SCHEMBL20140021 0.86 PRKAA2 (0.42) MTORRPTORMLST8SLC27A1TACR3
SCHEMBL20140010 0.85 MTOR (0.44) MTORRPTORMLST8SLC27A1TACR3
SCHEMBL20139894 0.84 MTOR (0.47) MTORRPTORMLST8SLC27A1ALDH1A1
SCHEMBL20141707 0.84 MTOR (0.47) MTORRPTORMLST8PARP1PRKAA2
SCHEMBL20157251 0.83 PARP1 (0.49) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20139934 0.82 PPARG (0.47) MTORRPTORMLST8SLC27A1ALDH1A1

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