SCHEMBL28060869

SCHEMBL28060869

COc1cccc(NOC(=O)C(C)(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MLYCD O95822 1/20 0.38
KAT6A Q92794 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL28018573 0.84 KDM4E (0.52) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL28060867 0.81 PDK1 (0.39) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL28053391 0.81 POLB (0.42) PDK1PDK2PDK3PDK4LMNA
SCHEMBL28832949 0.76 PDK1 (0.51) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1779793 0.73 PDK1 (0.46) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL28829583 0.73 CA12 (0.38) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL2093872 0.73 KMT2A (0.47) PDK1PDK2PDK3PDK4LMNA
SCHEMBL1012748 0.73 KMT2A (0.49) PDK1PDK2PDK3PDK4LMNA
SCHEMBL27775487 0.73 NR3C1 (0.51) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL20984511 0.72 GAA (0.52) KDM4ELMNAKMT2AMEN1MAPT

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
CN-103492377-B As the triazolopyridine compounds of PIM kinase inhibitor ARRAY BIOPHARMA INC. (US) 2016-04-20 CN disclosed