SCHEMBL3677261

SCHEMBL3677261

Cc1noc(C)c1COCCc1cccc(Nc2sc(-c3c(F)cc(CC(C)O)cc3F)cc2C(N)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.51
KCNH2 Q12809 3/20 0.51
JAK3 P52333 2/20 0.51
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35

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
SCHEMBL3674954 0.89 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3510929 0.88 JAK2 (0.67) JAK2KCNH2JAK3
SCHEMBL3674969 0.86 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3669584 0.85 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3672794 0.84 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3669508 0.84 JAK2 (0.67) JAK2KCNH2JAK3
SCHEMBL3672231 0.82 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3673945 0.82 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3671490 0.82 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3666365 0.79 JAK2 (0.79) 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