SCHEMBL13270010

SCHEMBL13270010

CN(Cc1nccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.58
JAK3 P52333 3/20 0.58
KCNH2 Q12809 3/20 0.58

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
SCHEMBL3512188 0.88 JAK2 (0.63) JAK2JAK3KCNH2
SCHEMBL3510912 0.87 JAK2 (0.72) JAK2JAK3KCNH2
SCHEMBL3509852 0.86 JAK2 (0.57) JAK2JAK3KCNH2
SCHEMBL13465128 0.85 JAK2 (0.60) JAK2JAK3KCNH2
SCHEMBL13270092 0.85 JAK2 (0.58) JAK2JAK3KCNH2
SCHEMBL3508150 0.84 JAK2 (0.62) JAK2JAK3KCNH2
SCHEMBL14011016 0.84 JAK2 (0.62) JAK2JAK3KCNH2
SCHEMBL3508903 0.84 JAK2 (0.61) JAK2JAK3KCNH2
SCHEMBL13270313 0.83 JAK2 (0.61) JAK2JAK3KCNH2
SCHEMBL3675295 0.83 JAK2 (0.59) JAK2JAK3KCNH2

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