SCHEMBL3675807

SCHEMBL3675807

[CH2]c1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.70
JAK3 P52333 3/20 0.70
KCNH2 Q12809 3/20 0.70

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
SCHEMBL3509330 0.90 JAK2 (0.72) JAK2JAK3KCNH2
SCHEMBL13465102 0.90 JAK2 (0.72) JAK2JAK3KCNH2
SCHEMBL13139195 0.89 JAK2 (0.71) JAK2JAK3KCNH2
SCHEMBL3510281 0.89 JAK2 (0.71) JAK2JAK3KCNH2
SCHEMBL13270115 0.87 JAK2 (0.78) JAK2JAK3KCNH2
SCHEMBL13270114 0.87 JAK2 (0.68) JAK2JAK3KCNH2
SCHEMBL3509253 0.87 JAK2 (0.70) JAK2JAK3KCNH2
SCHEMBL3510742 0.87 JAK2 (0.70) JAK2JAK3KCNH2
SCHEMBL3509800 0.87 JAK2 (0.68) JAK2JAK3KCNH2
SCHEMBL3508791 0.86 JAK2 (0.65) 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 3 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-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed