SCHEMBL6537772

SCHEMBL6537772

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.42
JAK2 O60674 6/20 0.42
JAK1 P23458 4/20 0.42
SLC16A3 O15427 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 2/20 0.39
HDAC3 O15379 1/20 0.39
NCOR1 O75376 1/20 0.39
CDK1 P06493 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL6537687 0.90 TYK2 (0.43) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6538343 0.90 SLC16A3 (0.46) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537619 0.88 MEN1 (0.47) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL8490281 0.87 HAVCR2 (0.44) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537856 0.86 TYK2 (0.40) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537729 0.85 SLC16A3 (0.40) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537622 0.84 TYK2 (0.42) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537711 0.84 TYK2 (0.42) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537581 0.83 SLC16A3 (0.42) TYK2JAK2JAK1SLC16A3MEN1
SCHEMBL6537931 0.83 TYK2 (0.41) TYK2JAK2JAK1SLC16A3MEN1

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