SCHEMBL6537732

SCHEMBL6537732

CC(C)OCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.42
JAK2 O60674 8/20 0.39
JAK1 P23458 6/20 0.39
PTGES O14684 3/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
SLC16A3 O15427 1/20 0.38
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL8589252 0.90 TYK2 (0.41) TYK2JAK2JAK1PTGESCYP3A4
SCHEMBL6537695 0.88 PTGES (0.44) TYK2JAK2JAK1PTGESCYP3A4
SCHEMBL6537734 0.88 TYK2 (0.39) TYK2JAK2JAK1PTGESCYP3A4
SCHEMBL6537921 0.86 PTGES (0.39) TYK2JAK2JAK1PTGESMEN1
SCHEMBL6537916 0.86 TYK2 (0.38) TYK2JAK2JAK1PTGESCYP3A4
SCHEMBL6538065 0.86 GAA (0.42) TYK2JAK2JAK1PTGESCYP3A4
SCHEMBL6537957 0.85 TYK2 (0.44) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL6538034 0.84 TYK2 (0.45) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL6537906 0.83 MEN1 (0.39) TYK2JAK2JAK1PTGESCYP3A4
SCHEMBL8477159 0.83 TYK2 (0.38) TYK2JAK2JAK1PTGESCYP3A4

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