SCHEMBL3676396

SCHEMBL3676396

CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccnc(C4CC4)n3)s2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.43
JAK3 P52333 2/20 0.43
KCNH2 Q12809 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL3674505 0.87 JAK2 (0.45) JAK2JAK3KCNH2
SCHEMBL3671860 0.86 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL3674059 0.85 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL3669087 0.84 JAK2 (0.42) JAK2JAK3KCNH2
SCHEMBL3672820 0.84 JAK2 (0.60) JAK2JAK3KCNH2
SCHEMBL3508178 0.83 JAK2 (0.59) JAK2JAK3KCNH2
SCHEMBL3675289 0.83 JAK2 (0.41) JAK2JAK3KCNH2
SCHEMBL3678337 0.81 JAK2 (0.64) JAK2JAK3KCNH2
SCHEMBL3673916 0.81 JAK2 (0.41) JAK2JAK3KCNH2
SCHEMBL3670599 0.81 JAK2 (0.46) 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-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed