SCHEMBL3672916

SCHEMBL3672916

COc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1C(C)CO

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.58
KCNH2 Q12809 3/20 0.58
JAK3 P52333 2/20 0.58
SYK P43405 1/20 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
SCHEMBL3666536 0.90 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3507969 0.86 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3512332 0.81 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3510463 0.81 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3510742 0.80 JAK2 (0.70) JAK2KCNH2JAK3
SCHEMBL3670396 0.79 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3668114 0.79 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3509526 0.78 JAK2 (0.63) JAK2KCNH2JAK3
SCHEMBL3675028 0.78 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL13465206 0.78 JAK2 (0.62) 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 claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed