SCHEMBL3676013

SCHEMBL3676013

Cc1nc(Nc2sc(-c3c(F)cc(C(C)CO)cc3F)cc2C(N)=O)ccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.44
KCNH2 Q12809 2/20 0.43
JAK3 P52333 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL3675492 0.86 JAK2 (0.44) JAK2KCNH2JAK3IRAK4
SCHEMBL3675028 0.85 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3674059 0.85 JAK2 (0.43) JAK2KCNH2JAK3
SCHEMBL3513865 0.83 JAK2 (0.59) JAK2KCNH2JAK3IRAK4
SCHEMBL3678337 0.83 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3675279 0.82 JAK2 (0.43) JAK2KCNH2JAK3
SCHEMBL3670599 0.81 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3511591 0.81 JAK2 (0.45) JAK2KCNH2JAK3
SCHEMBL3672747 0.81 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3672008 0.81 JAK2 (0.41) 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