SCHEMBL6538337

SCHEMBL6538337

CCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.40
JAK2 O60674 5/20 0.39
TYK2 P29597 5/20 0.39
JAK1 P23458 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
PLK1 P53350 1/20 0.38
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
AHR P35869 1/20 0.37
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 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
SCHEMBL6537688 0.89 JAK2 (0.42) SLC16A3JAK2TYK2JAK1MEN1
SCHEMBL6537843 0.87 SLC16A3 (0.42) SLC16A3JAK2TYK2JAK1NPC1
SCHEMBL6537517 0.87 JAK2 (0.40) SLC16A3JAK2TYK2JAK1NPC1
SCHEMBL6538208 0.87 PTGES (0.42) SLC16A3JAK2TYK2JAK1MEN1
SCHEMBL6537734 0.84 TYK2 (0.39) SLC16A3JAK2TYK2JAK1MEN1
SCHEMBL6537770 0.84 TYK2 (0.43) JAK2TYK2JAK1RAB9ALMNA
Hydrochloric Acid SCHEMBL6537776 0.82 SLC16A3 (0.39) SLC16A3JAK2TYK2JAK1NPC1
SCHEMBL8490281 0.81 HAVCR2 (0.44) SLC16A3JAK2TYK2JAK1RAB9A
SCHEMBL6537772 0.81 TYK2 (0.42) SLC16A3JAK2TYK2JAK1RAB9A
SCHEMBL6538343 0.79 SLC16A3 (0.46) SLC16A3JAK2TYK2JAK1ITGB1

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