SCHEMBL20140739

SCHEMBL20140739

N#Cc1ccccc1N1CCN(Cc2c(F)ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)c2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
MTOR P42345 3/20 0.49
RPTOR Q8N122 3/20 0.49
MLST8 Q9BVC4 3/20 0.49
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
GRM5 P41594 1/20 0.46
TACR3 P29371 1/20 0.46
DPP4 P27487 1/20 0.46
DRD3 P35462 3/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.43
USP2 O75604 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
SCHEMBL20140669 0.89 PARP1 (0.45) PARP1MTORRPTORMLST8TSHR
SCHEMBL20140118 0.89 DRD4 (0.50) MTORRPTORMLST8TSHRSMN1; SMN2
SCHEMBL20139982 0.82 MTOR (0.50) PARP1MTORRPTORMLST8ALDH1A1
SCHEMBL20139960 0.81 MTOR (0.56) PARP1MTORRPTORMLST8TSHR
SCHEMBL20141188 0.78 MTOR (0.56) PARP1MTORRPTORMLST8TSHR
SCHEMBL20140642 0.76 MTOR (0.51) PARP1MTORRPTORMLST8TSHR
SCHEMBL20141543 0.76 MTOR (0.54) PARP1MTORRPTORMLST8TSHR
SCHEMBL20140021 0.75 PRKAA2 (0.42) PARP1MTORRPTORMLST8KDM4E
SCHEMBL20141473 0.75 MTOR (0.50) PARP1MTORRPTORMLST8SMN1; SMN2
SCHEMBL20140926 0.75 MTOR (0.54) PARP1MTORRPTORMLST8TSHR

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