SCHEMBL6537787

SCHEMBL6537787

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CN(C)CCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.44
CD274 Q9NZQ7 7/20 0.44
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
F10 P00742 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
SLC16A3 O15427 1/20 0.35
CDK14 O94921 1/20 0.35
CCNY Q8ND76 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
SCHEMBL6538126 0.91 PDCD1 (0.40) PDCD1CD274TMEM97SIGMAR1JAK2
SCHEMBL6537806 0.89 JAK2 (0.40) TMEM97SIGMAR1JAK2JAK1TYK2
SCHEMBL6538125 0.86 SLC16A3 (0.41) TMEM97SIGMAR1JAK2JAK1TYK2
SCHEMBL6537622 0.86 TYK2 (0.42) TMEM97SIGMAR1JAK2JAK1TYK2
SCHEMBL6538375 0.85 SLC16A3 (0.39) TMEM97SIGMAR1JAK2JAK1TYK2
SCHEMBL6537711 0.84 TYK2 (0.42) TMEM97SIGMAR1JAK2JAK1TYK2
SCHEMBL6537581 0.83 SLC16A3 (0.42) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6538164 0.81 PTGES (0.43) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6537856 0.81 TYK2 (0.40) TMEM97SIGMAR1JAK2JAK1TYK2
SCHEMBL6537689 0.81 SLC16A3 (0.40) TMEM97SIGMAR1JAK2JAK1TYK2

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