SCHEMBL5034476

SCHEMBL5034476

COc1ccnc(CCc2nc3cc(-c4cccc(F)c4S(=O)(=O)N4CCN(C)CC4)cnc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.41
NOS1 P29475 9/20 0.41
NOS3 P29474 6/20 0.41
FGFR3 P22607 4/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
FGFR2 P21802 2/20 0.37
TBKBP1 A7MCY6 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
GAK O14976 1/20 0.36
RIPK2 O43353 1/20 0.36
PRKAB2 O43741 1/20 0.36
ERN1 O75460 1/20 0.36
STK10 O94804 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
YES1 P07947 1/20 0.36
LYN P07948 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
SCHEMBL2831915 0.87 KDM4E (0.42) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2830885 0.85 NOS1 (0.42) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2833899 0.85 NOS1 (0.47) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2831824 0.84 MAP4K1 (0.49) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2835191 0.84 KDM4E (0.43) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2832530 0.81 MAP4K1 (0.47) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2836472 0.81 NOS2 (0.42) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2831963 0.80 NOS1 (0.40) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2832956 0.79 NOS2 (0.39) NOS2NOS1NOS3FGFR3CYP2C9
SCHEMBL2832542 0.77 NOS2 (0.48) NOS2NOS1NOS3FGFR3CYP2C9

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
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP claimed