SCHEMBL6537517

SCHEMBL6537517

CCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 4/20 0.40
SLC16A3 O15427 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PLK1 P53350 1/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6537836 0.91 TYK2 (0.39) JAK2JAK1TYK2SLC16A3MEN1
SCHEMBL6538286 0.88 PTGES (0.41) JAK2JAK1TYK2SLC16A3MEN1
SCHEMBL6538001 0.87 TP53 (0.39) JAK2JAK1TYK2SLC16A3MEN1
SCHEMBL6538337 0.87 SLC16A3 (0.40) JAK2JAK1TYK2SLC16A3ITGB1
SCHEMBL6537916 0.86 TYK2 (0.38) JAK2JAK1TYK2SLC16A3MEN1
SCHEMBL6537496 0.85 TYK2 (0.41) JAK2JAK1TYK2RAB9ALMNA
SCHEMBL6537843 0.84 SLC16A3 (0.42) JAK2JAK1TYK2SLC16A3ITGB1
Hydrochloric Acid SCHEMBL6537776 0.80 SLC16A3 (0.39) JAK2JAK1TYK2SLC16A3ITGB1
SCHEMBL6537687 0.79 TYK2 (0.43) JAK2JAK1TYK2SLC16A3NPC1
SCHEMBL6538125 0.79 SLC16A3 (0.41) JAK2JAK1TYK2SLC16A3RAB9A

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