SCHEMBL6537598

SCHEMBL6537598

CC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
TYK2 P29597 10/20 0.47
JAK2 O60674 7/20 0.47
JAK1 P23458 4/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR7 Q9NYK1 2/20 0.43
TLR8 Q9NR97 3/20 0.42
TOP2A P11388 1/20 0.41
EPAS1 Q99814 1/20 0.40
MAP4K4 O95819 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
GAA P10253 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
SCHEMBL6537600 0.87 TYK2 (0.49) PTGESTYK2JAK2JAK1KMT2A
SCHEMBL6537352 0.87 TYK2 (0.51) TYK2JAK2JAK1GAA
SCHEMBL6537529 0.86 TYK2 (0.50) TYK2JAK2JAK1
SCHEMBL6537983 0.86 PTGES (0.50) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6538167 0.85 PTGES (0.51) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6538207 0.83 TYK2 (0.51) TYK2JAK2JAK1MEN1MAPT
SCHEMBL6537696 0.83 PTGES (0.46) PTGESTYK2JAK2JAK1MEN1
Dimethylamine SCHEMBL8474406 0.81 TYK2 (0.49) TYK2JAK2JAK1MEN1MAPT
Hydrochloric Acid SCHEMBL6538204 0.78 PTGES (0.49) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6537639 0.77 CD38 (0.46) PTGESTYK2JAK2JAK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed