SCHEMBL20156970

SCHEMBL20156970

N#Cc1ccccc1N1CCN(Cc2ccc(Cl)c(C(=O)N3CCN(c4ccc(F)cn4)CC3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.47
PARP1 P09874 2/20 0.46
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RET P07949 1/20 0.43
TACR3 P29371 1/20 0.43
MTOR P42345 1/20 0.42
RPTOR Q8N122 1/20 0.42
MLST8 Q9BVC4 1/20 0.42

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
SCHEMBL20157251 0.92 PARP1 (0.49) PRKAA2PARP1MTORRPTORMLST8
SCHEMBL20139934 0.90 PPARG (0.47) PRKAA2PARP1RETMTORRPTOR
SCHEMBL20140541 0.89 MTOR (0.46) PRKAA2PARP1HSD17B10RETTACR3
SCHEMBL20140021 0.88 PRKAA2 (0.42) PRKAA2PARP1HSD17B10TACR3MTOR
SCHEMBL20140668 0.87 CHRM4 (0.51) RETMTORRPTORMLST8
SCHEMBL20156969 0.87 CHRM4 (0.51) RETMTORRPTORMLST8
SCHEMBL20140585 0.84 PPARG (0.47) PARP1MEN1KMT2ARETTACR3
SCHEMBL20140010 0.83 MTOR (0.44) PRKAA2PARP1RETTACR3MTOR
SCHEMBL20156964 0.82 MTOR (0.49) PRKAA2PARP1RETMTORRPTOR
SCHEMBL20156887 0.82 PPARG (0.46) PARP1RETMTORRPTORMLST8

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