SCHEMBL3679407

SCHEMBL3679407

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOC[C@@H]4C)n3)s2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.55
KCNH2 Q12809 3/20 0.55
JAK3 P52333 3/20 0.51
GRM2 Q14416 3/20 0.38

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
SCHEMBL3670585 0.87 JAK2 (0.55) JAK2KCNH2JAK3GRM2
SCHEMBL3509841 0.87 JAK2 (0.63) JAK2KCNH2JAK3GRM2
SCHEMBL3508101 0.87 JAK2 (0.63) JAK2KCNH2JAK3GRM2
SCHEMBL3673945 0.84 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3670376 0.82 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3670403 0.81 JAK2 (0.53) JAK2KCNH2JAK3GRM2
SCHEMBL3672359 0.81 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3672231 0.81 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3677021 0.81 JAK2 (0.75) JAK2KCNH2JAK3
SCHEMBL3673886 0.80 JAK2 (0.55) JAK2KCNH2JAK3

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