SCHEMBL792890

SCHEMBL792890

Nc1cc(Nc2nccc3nc(-c4c(Cl)cc(C(OC=O)OC=O)cc4Cl)sc23)ncn1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.56
JAK2 O60674 3/20 0.41
SCN9A Q15858 1/20 0.31
LCK P06239 1/20 0.30

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
SCHEMBL793903 0.84 TYK2 (0.60) TYK2JAK2SCN9ALCK
SCHEMBL792816 0.84 TYK2 (0.63) TYK2JAK2SCN9A
Hydrochloric Acid SCHEMBL793628 0.83 TYK2 (0.62) TYK2JAK2SCN9A
SCHEMBL807375 0.82 TYK2 (0.67) TYK2JAK2
Formic Acid SCHEMBL793902 0.81 TYK2 (0.74) TYK2JAK2LCK
SCHEMBL793027 0.80 TYK2 (0.67) TYK2JAK2SCN9A
SCHEMBL11898927 0.79 TYK2 (0.59) TYK2JAK2
Hydrochloric Acid SCHEMBL793360 0.79 TYK2 (0.66) TYK2JAK2SCN9A
SCHEMBL807526 0.79 TYK2 (0.80) TYK2JAK2LCK
SCHEMBL11960363 0.76 TYK2 (0.66) TYK2JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed