SCHEMBL6537352

SCHEMBL6537352

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.51
JAK2 O60674 16/20 0.51
JAK1 P23458 9/20 0.51
CDK9 P50750 1/20 0.42
JAK3 P52333 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL6537529 0.90 TYK2 (0.50) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537600 0.89 TYK2 (0.49) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6538207 0.88 TYK2 (0.51) TYK2JAK2JAK1ALDH1A1GAA
SCHEMBL6537598 0.87 PTGES (0.47) TYK2JAK2JAK1GAA
Dimethylamine SCHEMBL8474406 0.86 TYK2 (0.49) TYK2JAK2JAK1ALDH1A1GAA
SCHEMBL6537972 0.84 TYK2 (0.52) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6536783 0.84 TYK2 (0.53) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537731 0.81 TYK2 (0.47) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6538137 0.81 TYK2 (0.47) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537865 0.80 TYK2 (0.47) TYK2JAK2JAK1CDK9JAK3

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