SCHEMBL1968049

SCHEMBL1968049

CC(C)Oc1ncc(-c2nc(-c3ccc(N[C@H]4CCC(C(=O)O)C4)cc3)no2)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.68
MINK1 Q8N4C8 3/20 0.68
DYRK3 O43781 2/20 0.68
MARK3 P27448 2/20 0.68
PLK1 P53350 2/20 0.68
MAP4K5 Q9Y4K4 2/20 0.68
ERBB2 P04626 1/20 0.63
PIM1 P11309 1/20 0.63
CAMK2B Q13554 1/20 0.63
CDC42BPA Q5VT25 1/20 0.63
PIM3 Q86V86 1/20 0.63
SRPK1 Q96SB4 1/20 0.63
MKNK2 Q9HBH9 1/20 0.63
MAP3K20 Q9NYL2 1/20 0.63
S1PR1 P21453 15/20 0.43
S1PR5 Q9H228 6/20 0.43
S1PR4 O95977 2/20 0.43
S1PR3 Q99500 5/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL2341798 1.00 MAP4K4 (0.68) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1965895 1.00 MAP4K4 (0.68) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1968054 1.00 MAP4K4 (0.68) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL12391817 0.92 MAP4K4 (0.76) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2345697 0.92 MAP4K4 (0.76) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1966766 0.92 MAP4K4 (0.76) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL11969002 0.91 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL11969008 0.91 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL11969015 0.91 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
Methyl Alcohol SCHEMBL11969263 0.91 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1

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