SCHEMBL6537480

SCHEMBL6537480

CN(C)C(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.48
JAK2 O60674 7/20 0.48
JAK1 P23458 5/20 0.48
KDR P35968 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PTGES O14684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38

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
SCHEMBL8489319 0.90 TYK2 (0.54) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6538207 0.88 TYK2 (0.51) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL8474393 0.86 TYK2 (0.46) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL8472633 0.86 TYK2 (0.49) TYK2JAK2JAK1KDRALDH1A1
Dimethylamine SCHEMBL8474406 0.86 TYK2 (0.49) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6538304 0.86 TYK2 (0.52) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6538041 0.86 TYK2 (0.49) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537767 0.85 TYK2 (0.53) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537885 0.85 TYK2 (0.51) TYK2JAK2JAK1KDRALDH1A1
SCHEMBL6537748 0.85 TYK2 (0.48) TYK2JAK2JAK1KDRALDH1A1

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