SCHEMBL20149908

SCHEMBL20149908

Cc1cc(C(F)(F)F)c(NC2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cccnc2[S+](N)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.56
RPTOR Q8N122 8/20 0.56
MLST8 Q9BVC4 8/20 0.56
SYK P43405 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MLNR O43193 1/20 0.37
SMO Q99835 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC9A1 P19634 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AR P10275 1/20 0.36
HSD11B1 P28845 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
POLB P06746 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
SCHEMBL20133722 0.87 MTOR (0.68) MTORRPTORMLST8SYKNPSR1
SCHEMBL22693186 0.82 MTOR (0.60) MTORRPTORMLST8SYKNPSR1
SCHEMBL20150210 0.82 MTOR (0.64) MTORRPTORMLST8MLNRKDM4E
SCHEMBL20133708 0.82 MTOR (0.58) MTORRPTORMLST8SYKSMO
SCHEMBL20133721 0.80 MTOR (0.56) MTORRPTORMLST8SMOCYP2D6
SCHEMBL20133723 0.79 MTOR (0.55) MTORRPTORMLST8ARPRKCQ
SCHEMBL20133739 0.79 MTOR (0.78) MTORRPTORMLST8CYP2D6KDM4E
SCHEMBL20149685 0.78 MTOR (0.79) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149839 0.78 MTOR (0.65) MTORRPTORMLST8MLNRKDM4E
SCHEMBL20149789 0.78 MTOR (0.65) MTORRPTORMLST8MLNRKDM4E

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