SCHEMBL3681007

SCHEMBL3681007

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNCC(=O)NCCP(C)(C)=O)n3)s2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.47
KCNH2 Q12809 3/20 0.45
JAK3 P52333 3/20 0.40
FAAH O00519 1/20 0.32

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
SCHEMBL3667837 0.88 JAK2 (0.47) JAK2KCNH2JAK3
SCHEMBL3509455 0.86 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3669458 0.84 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3680056 0.82 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3669557 0.81 JAK2 (0.44) JAK2KCNH2JAK3
SCHEMBL3669723 0.81 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3678031 0.80 JAK2 (0.48) JAK2KCNH2JAK3FAAH
SCHEMBL3668732 0.80 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3666814 0.80 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3671384 0.80 JAK2 (0.55) JAK2KCNH2JAK3FAAH

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