SCHEMBL6537696

SCHEMBL6537696

CNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
TYK2 P29597 10/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
JAK2 O60674 7/20 0.43
JAK1 P23458 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP4K4 O95819 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6537364 0.87 TYK2 (0.46) PTGESTYK2JAK2JAK1SMN1; SMN2
SCHEMBL6538137 0.87 TYK2 (0.47) TYK2JAK2JAK1SMN1; SMN2KDM4E
SCHEMBL6538250 0.86 TYK2 (0.47) TYK2JAK2JAK1SMN1; SMN2KDM4E
SCHEMBL6537677 0.85 SMN1; SMN2 (0.52) TYK2JAK2JAK1SMN1; SMN2KDM4E
SCHEMBL6537983 0.84 PTGES (0.50) PTGESTYK2JAK2JAK1SMN1; SMN2
SCHEMBL6538167 0.84 PTGES (0.51) PTGESTYK2JAK2JAK1SMN1; SMN2
SCHEMBL6537598 0.83 PTGES (0.47) PTGESTYK2JAK2JAK1SMN1; SMN2
SCHEMBL6538091 0.78 TYK2 (0.43) TYK2AURKAJAK2JAK1SMN1; SMN2
SCHEMBL6537680 0.77 HTR1A (0.46) TYK2JAK2JAK1SMN1; SMN2KDM4E
SCHEMBL8474994 0.77 TYK2 (0.46) TYK2AURKAJAK2JAK1SMN1; SMN2

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