SCHEMBL6537800

SCHEMBL6537800

CCOC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.46
JAK2 O60674 5/20 0.46
JAK1 P23458 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 4/20 0.39
KDR P35968 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6537885 0.86 TYK2 (0.51) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6538207 0.85 TYK2 (0.51) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6537679 0.85 TYK2 (0.45) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6537810 0.84 SMN1; SMN2 (0.48) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6537924 0.83 TYK2 (0.50) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6538041 0.83 TYK2 (0.49) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
Dimethylamine SCHEMBL8474406 0.83 TYK2 (0.49) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6538304 0.83 TYK2 (0.52) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6537767 0.82 TYK2 (0.53) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL6537480 0.82 TYK2 (0.48) TYK2JAK2JAK1ALDH1A1SMN1; 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