SCHEMBL6537747

SCHEMBL6537747

COc1ccc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(NNC(C)=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.44
JAK2 O60674 5/20 0.44
JAK1 P23458 4/20 0.44
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.39
GRM4 Q14833 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL6537865 0.91 TYK2 (0.47) TYK2JAK2JAK1HTTLMNA
SCHEMBL6537653 0.86 TYK2 (0.47) TYK2JAK2JAK1PDE4DPDE4A
SCHEMBL6537912 0.86 TYK2 (0.46) TYK2JAK2JAK1HTTLMNA
SCHEMBL6537637 0.86 TYK2 (0.47) TYK2JAK2JAK1PDE4DPDE4A
SCHEMBL6537777 0.82 HTR1A (0.44) TYK2JAK2JAK1PDE4DPDE4A
SCHEMBL6538207 0.81 TYK2 (0.51) TYK2JAK2JAK1HTTHSD17B10
SCHEMBL6537731 0.80 TYK2 (0.47) TYK2JAK2JAK1MAPTRAB9A
Dimethylamine SCHEMBL8474406 0.79 TYK2 (0.49) TYK2JAK2JAK1HTTHSD17B10
SCHEMBL6537352 0.78 TYK2 (0.51) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6538092 0.77 CD38 (0.50) TYK2JAK2JAK1PDE4DPDE4A

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