SCHEMBL796963

SCHEMBL796963

OCc1ccnc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.61
JAK2 O60674 19/20 0.61
JAK1 P23458 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL796964 0.85 TYK2 (0.57) TYK2JAK2
SCHEMBL14857954 0.84 JAK2 (0.65) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2372683 0.77 TYK2 (0.62) TYK2JAK2
SCHEMBL2385826 0.76 JAK2 (0.75) TYK2JAK2JAK1CDK2CDK9
SCHEMBL791937 0.75 TYK2 (0.87) TYK2JAK2
SCHEMBL2371904 0.73 TYK2 (0.52) TYK2JAK2
SCHEMBL2371085 0.73 TYK2 (0.43) TYK2JAK2
SCHEMBL12295375 0.72 JAK2 (0.62) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2384762 0.72 PTGES (0.52) TYK2JAK2
SCHEMBL2388178 0.72 JAK2 (0.69) 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 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 claimed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO claimed