SCHEMBL13465100

SCHEMBL13465100

NC(=O)c1cc(-c2ccccc2)sc1Nc1ncccc1N

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.69
▸ JAK3 P52333 3/20 0.69
▸ IKBKB O14920 2/20 0.57

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
SCHEMBL3512584 0.87 JAK2 (0.67) JAK2JAK3IKBKB
SCHEMBL3510590 0.87 JAK2 (0.67) JAK2JAK3IKBKB
SCHEMBL3512260 0.84 JAK2 (0.64) JAK2JAK3IKBKB
SCHEMBL3509407 0.84 JAK2 (0.64) JAK2JAK3IKBKB
SCHEMBL3512122 0.81 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL13464856 0.79 JAK2 (0.77) JAK2JAK3IKBKB
SCHEMBL1579949 0.78 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL1890249 0.78 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL1579845 0.77 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL14011075 0.76 JAK2 (0.77) JAK2JAK3IKBKB

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
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
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