SCHEMBL20156864

SCHEMBL20156864

Cc1cc(C)c(-c2nnc3n2CCN(c2ccccc2C#N)C3)cc1C(=O)N1CCN(c2cc(F)c(C#N)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.47
RPTOR Q8N122 3/20 0.47
MLST8 Q9BVC4 3/20 0.47
P2RX7 Q99572 10/20 0.40
PARP1 P09874 1/20 0.40
NAMPT P43490 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
FASN P49327 1/20 0.38
SLC6A9 P48067 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20140508 0.88 CHRM2 (0.43) MTORRPTORMLST8P2RX7MAPT
SCHEMBL20140506 0.88 CHRM2 (0.43) MTORRPTORMLST8P2RX7MAPT
SCHEMBL20157107 0.86 MTOR (0.52) MTORRPTORMLST8P2RX7ALDH1A1
SCHEMBL20140571 0.83 DRD4 (0.39) MTORRPTORMLST8P2RX7LMNA
SCHEMBL20141285 0.80 KDM4E (0.40) MTORRPTORMLST8P2RX7NAMPT
SCHEMBL20157344 0.78 MTOR (0.50) MTORRPTORMLST8PARP1NAMPT
SCHEMBL20140684 0.77 MTOR (0.51) MTORRPTORMLST8PARP1NAMPT
SCHEMBL20156938 0.77 MTOR (0.51) MTORRPTORMLST8PARP1NAMPT
SCHEMBL20141394 0.76 MTOR (0.42) MTORRPTORMLST8P2RX7
SCHEMBL20141393 0.76 MTOR (0.42) MTORRPTORMLST8P2RX7

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