SCHEMBL20141101

SCHEMBL20141101

COC(=O)c1cc(N(c2c(F)cc(F)cc2C#N)C2CCNCC2)c(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.36
KCNH2 Q12809 2/20 0.36
CHEK2 O96017 2/20 0.35
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.32
OPRK1 P41145 1/20 0.32
PLAT P00750 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MTOR P42345 1/20 0.32
RPTOR Q8N122 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
KDM1A O60341 3/20 0.31
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL20141483 0.90 TP53 (0.32) TP53THRBMTORRPTORMLST8
SCHEMBL20141281 0.88 MTOR (0.35) CHEK1KCNH2CHEK2HPGDKDM4E
SCHEMBL20141029 0.81 SLC6A2 (0.38) CHEK1KCNH2CHEK2HPGDKDM4E
SCHEMBL20140933 0.79 SLC6A2 (0.36) CHEK1CHEK2HPGDKDM4EALDH1A1
SCHEMBL20141030 0.79 SLC6A2 (0.38) CHEK1CHEK2HPGDKDM4EALDH1A1
SCHEMBL20141405 0.77 NOTUM (0.38) MTORRPTORMLST8
SCHEMBL20141049 0.76 SLC6A2 (0.38) CHEK1KCNH2CHEK2ALDH1A1
SCHEMBL20141036 0.76 KCNH2 (0.37) CHEK1KCNH2HPGDKDM4EALDH1A1
SCHEMBL20141038 0.76 KCNH2 (0.37) CHEK1KCNH2HPGDKDM4EALDH1A1
SCHEMBL20141147 0.75 SLC6A2 (0.38) CHEK1KCNH2CHEK2HPGDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed