SCHEMBL6537865

SCHEMBL6537865

CC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 14/20 0.47
JAK2 O60674 12/20 0.47
JAK1 P23458 8/20 0.47
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK9 P50750 1/20 0.38
JAK3 P52333 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
SCHEMBL6537912 0.91 TYK2 (0.46) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6537747 0.91 TYK2 (0.44) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6538207 0.85 TYK2 (0.51) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6537731 0.85 TYK2 (0.47) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6537390 0.84 TYK2 (0.53) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6538087 0.83 TYK2 (0.51) TYK2JAK2JAK1GAACYP3A4
Dimethylamine SCHEMBL8474406 0.83 TYK2 (0.49) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL6537352 0.80 TYK2 (0.51) TYK2JAK2JAK1GAAALDH1A1
SCHEMBL8474994 0.80 TYK2 (0.46) TYK2JAK2JAK1ALDH1A1CYP3A4
SCHEMBL6537350 0.80 TYK2 (0.49) TYK2JAK2JAK1CYP3A4KDR

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