SCHEMBL6537640

SCHEMBL6537640

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(Cl)c2c1Sc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 5/20 0.43
CYP3A4 P08684 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGES O14684 4/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL6538044 0.94 TYK2 (0.43) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL6538102 0.88 TYK2 (0.46) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL6537573 0.78 TYK2 (0.43) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL6538030 0.78 JAK2 (0.46) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL6537997 0.74 TYK2 (0.42) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL6537938 0.74 TYK2 (0.43) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL6537625 0.73 TYK2 (0.52) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL6537803 0.73 TYK2 (0.43) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL6538273 0.73 TYK2 (0.48) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL6537350 0.73 TYK2 (0.49) TYK2JAK2JAK1CYP3A4RAB9A

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