SCHEMBL13044836

SCHEMBL13044836

CN(C)Cc1cc(Cl)c(C(=O)Nc2ccnc(N)c2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.67
JAK2 O60674 11/20 0.65
JAK1 P23458 6/20 0.46

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
SCHEMBL1706082 0.82 TYK2 (0.79) TYK2JAK2JAK1
SCHEMBL1707067 0.80 TYK2 (1.00) TYK2JAK2JAK1
SCHEMBL1706029 0.79 TYK2 (1.00) TYK2JAK2JAK1
SCHEMBL3517302 0.79 TYK2 (0.64) TYK2JAK2JAK1
SCHEMBL13044837 0.78 TYK2 (0.80) TYK2JAK2JAK1
SCHEMBL3556665 0.77 TYK2 (0.79) TYK2JAK2
SCHEMBL12988388 0.77 TYK2 (0.79) TYK2JAK2
SCHEMBL3553124 0.77 TYK2 (0.79) TYK2JAK2
SCHEMBL3553122 0.77 TYK2 (0.79) TYK2JAK2
SCHEMBL12989142 0.77 TYK2 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed