SCHEMBL6537495

SCHEMBL6537495

O=C(Nc1cccc2c(NNC(=O)C3CC3)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 15/20 0.52
JAK2 O60674 5/20 0.52
JAK1 P23458 3/20 0.52
CDK9 P50750 1/20 0.52
JAK3 P52333 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ACVRL1 P37023 1/20 0.42
KDR P35968 1/20 0.41

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
SCHEMBL6538037 0.96 TYK2 (0.53) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6538207 0.85 TYK2 (0.51) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
SCHEMBL6537885 0.85 TYK2 (0.51) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6538304 0.83 TYK2 (0.52) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
SCHEMBL6538041 0.83 TYK2 (0.49) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
SCHEMBL6537924 0.83 TYK2 (0.50) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
SCHEMBL8472633 0.83 TYK2 (0.49) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
Dimethylamine SCHEMBL8474406 0.83 TYK2 (0.49) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
SCHEMBL6537767 0.83 TYK2 (0.53) TYK2JAK2JAK1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6538361 0.83 JAK2 (0.49) TYK2JAK2JAK1NPC1RAB9A

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