SCHEMBL1966997

SCHEMBL1966997

O=C(O)C1CCC(Nc2ccc(-c3nc(-c4ccc(N5CCC(F)CC5)c(C(F)(F)F)c4)no3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.67
MAP4K4 O95819 2/20 0.67
MARK3 P27448 2/20 0.67
PLK1 P53350 2/20 0.67
MINK1 Q8N4C8 2/20 0.67
MAP4K5 Q9Y4K4 2/20 0.67
ERBB2 P04626 1/20 0.67
PIM1 P11309 1/20 0.67
CAMK2B Q13554 1/20 0.67
CDC42BPA Q5VT25 1/20 0.67
PIM3 Q86V86 1/20 0.67
SRPK1 Q96SB4 1/20 0.67
MKNK2 Q9HBH9 1/20 0.67
MAP3K20 Q9NYL2 1/20 0.67
S1PR1 P21453 16/20 0.47
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL1967003 1.00 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2346586 1.00 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2339537 1.00 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL1967000 1.00 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2340623 1.00 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
Acetic Acid SCHEMBL2339131 0.98 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
Acetic Acid SCHEMBL2339184 0.98 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
Acetic Acid SCHEMBL1964609 0.98 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL3738000 0.94 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2344206 0.91 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1

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-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed