SCHEMBL20141394

SCHEMBL20141394

Cc1cc(C)c(-c2nnc3n2CCN(c2ncccc2Cl)C3)cc1C(=O)N1CCN(c2cc(F)c(C#N)cc2F)CC1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.42
RPTOR Q8N122 3/20 0.42
MLST8 Q9BVC4 3/20 0.42
CHRM2 P08172 1/20 0.40
P2RX7 Q99572 12/20 0.39
TRPV1 Q8NER1 1/20 0.37
GRM1 Q13255 1/20 0.37
AVPR1A P37288 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL20141393 1.00 MTOR (0.42) MTORRPTORMLST8CHRM2P2RX7
SCHEMBL20157107 0.89 MTOR (0.52) MTORRPTORMLST8P2RX7
SCHEMBL20140508 0.88 CHRM2 (0.43) MTORRPTORMLST8CHRM2P2RX7
SCHEMBL20140506 0.88 CHRM2 (0.43) MTORRPTORMLST8CHRM2P2RX7
SCHEMBL20156864 0.76 MTOR (0.47) MTORRPTORMLST8P2RX7
SCHEMBL20141643 0.76 P2RX7 (0.43) P2RX7TRPV1
SCHEMBL20140384 0.73 MALT1 (0.41) P2RX7TRPV1
SCHEMBL20156938 0.72 MTOR (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140684 0.72 MTOR (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20139953 0.72 CHRM2 (0.46) MTORRPTORMLST8CHRM2GRM1

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