SCHEMBL792159

SCHEMBL792159

Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(C(I)C(N)=O)cc4Cl)sc23)ncn1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 17/20 0.68
JAK2 O60674 4/20 0.42
JAK1 P23458 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
JAK3 P52333 1/20 0.38
LCK P06239 1/20 0.34
AKT1 P31749 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL11899410 0.84 TYK2 (0.78) TYK2JAK2JAK1CDK2CDK9
SCHEMBL792152 0.83 TYK2 (0.77) TYK2JAK2JAK1CDK2CDK9
SCHEMBL791952 0.83 TYK2 (0.73) TYK2JAK2JAK1CDK2CDK9
SCHEMBL807673 0.82 TYK2 (0.72) TYK2JAK2JAK1CDK2CDK9
SCHEMBL792148 0.81 TYK2 (0.76) TYK2JAK2JAK1CDK2CDK9
SCHEMBL797274 0.81 TYK2 (0.82) TYK2JAK2JAK1CDK2CDK9
SCHEMBL792044 0.81 TYK2 (1.00) TYK2JAK2JAK1CDK2CDK9
SCHEMBL793102 0.80 TYK2 (0.43) TYK2JAK2
SCHEMBL792996 0.80 TYK2 (0.74) TYK2JAK2JAK1CDK2CDK9
SCHEMBL792340 0.79 TYK2 (0.73) TYK2JAK2JAK1CDK2CDK9

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
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US claimed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
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