SCHEMBL6537830

SCHEMBL6537830

CN1CCN(c2ccnc3c(NC(=O)c4c(Cl)cccc4Cl)ccc(Cl)c23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 13/20 0.40
JAK2 O60674 10/20 0.40
JAK1 P23458 8/20 0.40
KDR P35968 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.36
CDK9 P50750 1/20 0.36
JAK3 P52333 1/20 0.36
CYP3A4 P08684 1/20 0.36
LCK P06239 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.35
WDR5 P61964 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
SCHEMBL6538108 0.92 MAPT (0.42) TYK2JAK2JAK1KDRMAPT
SCHEMBL6537842 0.90 HTT (0.41) TYK2JAK2JAK1MAPTTP53
SCHEMBL6538350 0.87 TYK2 (0.43) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538029 0.87 TYK2 (0.39) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537738 0.83 TYK2 (0.41) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537822 0.83 LCK (0.37) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537812 0.82 TYK2 (0.40) TYK2JAK2JAK1MAPTTP53
SCHEMBL6537396 0.82 TYK2 (0.41) TYK2JAK2JAK1KDRMAPT
SCHEMBL6538157 0.81 TYK2 (0.39) TYK2JAK2JAK1MAPTCDK9
SCHEMBL6538074 0.81 MAPT (0.39) TYK2JAK2JAK1MAPTTP53

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