SCHEMBL6537529

SCHEMBL6537529

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.50
JAK2 O60674 16/20 0.50
JAK1 P23458 9/20 0.50
CDK9 P50750 1/20 0.41
JAK3 P52333 1/20 0.41
RAB9A P51151 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
SCHEMBL6537352 0.90 TYK2 (0.51) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537600 0.88 TYK2 (0.49) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6538207 0.87 TYK2 (0.51) TYK2JAK2JAK1
SCHEMBL6538158 0.86 TYK2 (0.47) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537598 0.86 PTGES (0.47) TYK2JAK2JAK1
SCHEMBL6536340 0.86 TYK2 (0.50) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6538121 0.85 TYK2 (0.46) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537359 0.85 TYK2 (0.51) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6537965 0.85 TYK2 (0.47) TYK2JAK2JAK1CDK9JAK3
Dimethylamine SCHEMBL8474406 0.85 TYK2 (0.49) TYK2JAK2JAK1

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