SCHEMBL3672850

SCHEMBL3672850

CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(O)N4CCN(C(=O)O)CC4)n3)s2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.46
KCNH2 Q12809 3/20 0.46
JAK3 P52333 3/20 0.46

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
SCHEMBL3667641 0.89 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3507826 0.87 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3676380 0.82 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3678337 0.81 JAK2 (0.64) JAK2KCNH2JAK3
SCHEMBL3679978 0.81 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3670332 0.79 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3676376 0.79 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3674467 0.79 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL13116835 0.78 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3675757 0.78 JAK2 (0.50) 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