SCHEMBL20141688

SCHEMBL20141688

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRKAA2 P54646 1/20 0.45

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
SCHEMBL20141929 0.89 PPARG (0.47) MTORRPTORMLST8KDM4EKMT2A
SCHEMBL20141948 0.89 SMN1; SMN2 (0.51) MAPTSMN1; SMN2KDM4ELMNAHTT
SCHEMBL20142065 0.87 KDM4E (0.51) MTORRPTORMLST8MAPTKDM4E
SCHEMBL20140812 0.86 ALDH1A1 (0.56) MAPTSMN1; SMN2KDM4ELMNAHTT
SCHEMBL20140429 0.85 MTOR (0.48) MTORRPTORMLST8MAPTSMN1; SMN2
SCHEMBL20157304 0.84 MTOR (0.47) MTORRPTORMLST8SMN1; SMN2KDM4E
SCHEMBL20141811 0.84 PPARG (0.46) MTORRPTORMLST8SMN1; SMN2KDM4E
SCHEMBL20140645 0.84 PPARG (0.49) MTORRPTORMLST8MAPTKDM4E
SCHEMBL20141357 0.82 MTOR (0.43) MTORRPTORMLST8MAPTKMT2A
SCHEMBL20140664 0.82 MTOR (0.57) MTORRPTORMLST8KDM4EHTT

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