SCHEMBL3671507

SCHEMBL3671507

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.58
JAK3 P52333 3/20 0.40
KCNH2 Q12809 1/20 0.40
JAK1 P23458 5/20 0.39
TYK2 P29597 5/20 0.39
STAT3 P40763 1/20 0.39
PDE4D Q08499 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
SCHEMBL3679201 0.89 JAK2 (0.58) JAK2JAK3KCNH2
SCHEMBL3670765 0.89 JAK2 (0.60) JAK2JAK3KCNH2JAK1TYK2
SCHEMBL3677577 0.86 JAK2 (0.50) JAK2JAK3KCNH2
SCHEMBL3673068 0.85 JAK2 (0.46) JAK2JAK3KCNH2
SCHEMBL3674077 0.84 JAK2 (0.58) JAK2JAK3KCNH2JAK1TYK2
SCHEMBL3677381 0.81 JAK2 (0.58) JAK2JAK3KCNH2
SCHEMBL3674591 0.81 JAK2 (0.58) JAK2JAK3KCNH2
SCHEMBL3671735 0.81 JAK2 (0.51) JAK2JAK3KCNH2
SCHEMBL3671317 0.81 JAK2 (0.49) JAK2JAK3KCNH2
SCHEMBL3666817 0.81 JAK2 (0.57) JAK2JAK3KCNH2

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