SCHEMBL6538191

SCHEMBL6538191

CNCCNc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
TYK2 P29597 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MAPK14 Q16539 2/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
SYK P43405 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL6537823 0.90 TYK2 (0.39) RAB9ATYK2JAK2JAK1MAPK14
SCHEMBL6537971 0.87 RAB9A (0.39) RAB9ATYK2JAK2JAK1MAPK14
SCHEMBL6537651 0.87 RAB9A (0.39) RAB9ATYK2JAK2JAK1MAPK14
SCHEMBL6537831 0.85 PTGES (0.40) TYK2JAK2JAK1KMT2ASMN1; SMN2
SCHEMBL8490225 0.84 TYK2 (0.41) RAB9ATYK2JAK2JAK1MAPK14
SCHEMBL6537770 0.84 TYK2 (0.43) RAB9ATYK2JAK2JAK1KMT2A
SCHEMBL6537677 0.83 SMN1; SMN2 (0.52) RAB9ATYK2JAK2JAK1SMN1; SMN2
SCHEMBL8487107 0.83 TYK2 (0.42) RAB9ATYK2JAK2JAK1MAPK14
SCHEMBL8487904 0.82 EPHX1 (0.44) TYK2JAK2JAK1MAPK14HTT
SCHEMBL6538197 0.81 PTGES (0.43) MAPTTP53NR1H2NR1H3

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