SCHEMBL6537359

SCHEMBL6537359

Cc1cc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 18/20 0.51
JAK2 O60674 14/20 0.51
JAK1 P23458 8/20 0.51
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.45
CDK9 P50750 1/20 0.44
JAK3 P52333 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL6536340 0.88 TYK2 (0.50) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6536783 0.87 TYK2 (0.53) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL6537965 0.85 TYK2 (0.47) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6537529 0.85 TYK2 (0.50) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6538189 0.85 TYK2 (0.51) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL6538158 0.84 TYK2 (0.47) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6538250 0.84 TYK2 (0.47) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6538121 0.84 TYK2 (0.46) TYK2JAK2JAK1RAB9ACDK9
SCHEMBL6538073 0.83 TYK2 (0.56) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL6538167 0.82 PTGES (0.51) TYK2JAK2JAK1CYP3A4

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