SCHEMBL20141295

SCHEMBL20141295

Cc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC2 Q92769 1/20 0.49
PARP1 P09874 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MTOR P42345 1/20 0.46
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
TNK2 Q07912 1/20 0.46
TNK1 Q13470 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL20141948 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL20142065 0.88 KDM4E (0.51) KDM4EALDH1A1TDP1PARP1MTOR
SCHEMBL20140600 0.88 KDM4E (0.54) KDM4EALDH1A1TDP1PARP1MTOR
SCHEMBL20139930 0.88 MTOR (0.53) KDM4EALDH1A1TDP1SMN1; SMN2FNTA
SCHEMBL20140262 0.85 KDM4E (0.49) KDM4EALDH1A1TDP1PARP1SMN1; SMN2
SCHEMBL20140664 0.85 MTOR (0.57) KDM4EALDH1A1TDP1PARP1MTOR
SCHEMBL20140590 0.83 PARP1 (0.49) KDM4EALDH1A1TDP1PARP1SMN1; SMN2
SCHEMBL20139867 0.81 PARP1 (0.49) KDM4EALDH1A1TDP1PARP1SMN1; SMN2
SCHEMBL20140797 0.79 KDM4E (0.58) KDM4EALDH1A1TDP1HDAC2PARP1
SCHEMBL20140716 0.79 MTOR (0.53) KDM4EALDH1A1PARP1MTORRPTOR

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