SCHEMBL13269920

SCHEMBL13269920

CC(CO)c1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.69
▸ JAK3 P52333 3/20 0.62
▸ IKBKB O14920 1/20 0.49

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
SCHEMBL3666501 0.82 JAK2 (0.69) JAK2JAK3IKBKB
SCHEMBL3513503 0.82 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL14011075 0.81 JAK2 (0.77) JAK2JAK3IKBKB
SCHEMBL3509957 0.80 JAK2 (0.76) JAK2JAK3IKBKB
SCHEMBL3509993 0.80 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL3508481 0.78 JAK2 (0.73) JAK2JAK3IKBKB
SCHEMBL3513362 0.78 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL3674077 0.78 JAK2 (0.58) JAK2JAK3
SCHEMBL1579534 0.77 JAK2 (0.70) JAK2JAK3IKBKB
SCHEMBL3507945 0.77 JAK2 (1.00) 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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