SCHEMBL6537653

SCHEMBL6537653

COc1ccc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(NN)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.47
JAK2 O60674 4/20 0.47
JAK1 P23458 3/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 1/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 3/20 0.42
KDR P35968 1/20 0.41
PTGS2 P35354 1/20 0.40
GRM4 Q14833 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6537637 0.89 TYK2 (0.47) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6538087 0.89 TYK2 (0.51) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6537747 0.86 TYK2 (0.44) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6538173 0.85 TYK2 (0.48) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6537777 0.85 HTR1A (0.44) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6537597 0.81 HSD17B10 (0.55) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6537668 0.80 TYK2 (0.55) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6537464 0.79 TYK2 (0.46) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6538092 0.79 CD38 (0.50) TYK2JAK2JAK1LMNAMAPT
SCHEMBL6537390 0.77 TYK2 (0.53) TYK2JAK2JAK1MEN1KMT2A

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