SCHEMBL20140508

SCHEMBL20140508

Cc1cc(C)c(-c2nnc3n2CCN(c2ccccc2C#N)C3)cc1C(=O)N1CCN(c2cc(F)c(C#N)cc2F)CC1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
GRM1 Q13255 2/20 0.41
MTOR P42345 4/20 0.39
RPTOR Q8N122 4/20 0.39
MLST8 Q9BVC4 4/20 0.39
EGLN1 Q9GZT9 1/20 0.37
MAPT P10636 2/20 0.36
P2RX7 Q99572 7/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL20140506 1.00 CHRM2 (0.43) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20156864 0.88 MTOR (0.47) MTORRPTORMLST8MAPTP2RX7
SCHEMBL20141394 0.88 MTOR (0.42) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20141393 0.88 MTOR (0.42) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140684 0.83 MTOR (0.51) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20156938 0.83 MTOR (0.51) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140022 0.79 CHRM2 (0.49) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140800 0.79 CHRM2 (0.53) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140571 0.79 DRD4 (0.39) MTORRPTORMLST8MAPTP2RX7
SCHEMBL20140629 0.79 CHRM2 (0.49) CHRM2GRM1MTORRPTORMLST8

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