SCHEMBL20150044

SCHEMBL20150044

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)c(F)c3)CC2)c(C)c1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.68
RPTOR Q8N122 9/20 0.68
MLST8 Q9BVC4 9/20 0.68
PARP1 P09874 1/20 0.40
GRM5 P41594 1/20 0.39
DPP4 P27487 1/20 0.38
DRD4 P21917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM4 P08173 1/20 0.38
NAMPT P43490 1/20 0.38
RORC P51449 2/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL20133544 0.88 MTOR (0.63) MTORRPTORMLST8PARP1GRM5
SCHEMBL20141518 0.88 MTOR (0.63) MTORRPTORMLST8PARP1GRM5
SCHEMBL20149921 0.86 MTOR (0.65) MTORRPTORMLST8GRM5DPP4
SCHEMBL20133719 0.85 MTOR (0.73) MTORRPTORMLST8DPP4DRD4
SCHEMBL21360301 0.84 MTOR (0.78) MTORRPTORMLST8GRM5DRD4
SCHEMBL22693235 0.82 MTOR (0.63) MTORRPTORMLST8DPP4DRD4
SCHEMBL20133578 0.82 MTOR (0.65) MTORRPTORMLST8GRM5DRD4
SCHEMBL21340102 0.81 MTOR (0.84) MTORRPTORMLST8GRM5DPP4
SCHEMBL20141028 0.81 MTOR (0.64) MTORRPTORMLST8GRM5DRD4
Hydrochloric Acid SCHEMBL20141401 0.81 MTOR (0.64) MTORRPTORMLST8GRM5DRD4

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed