SCHEMBL3674077

SCHEMBL3674077

CC(CO)c1ccc(-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
SCHEMBL3671195 0.90 JAK2 (0.61) JAK2JAK3KCNH2JAK1TYK2
SCHEMBL3680051 0.89 JAK2 (0.46) JAK2JAK3KCNH2
SCHEMBL3671507 0.84 JAK2 (0.58) JAK2JAK3KCNH2JAK1TYK2
SCHEMBL3670778 0.81 JAK2 (0.55) JAK2JAK3KCNH2
SCHEMBL3511016 0.80 JAK2 (0.61) JAK2JAK3KCNH2JAK1TYK2
SCHEMBL3671041 0.80 JAK2 (0.56) JAK2JAK3KCNH2
SCHEMBL3677146 0.80 JAK2 (0.61) JAK2JAK3KCNH2JAK1TYK2
SCHEMBL3511361 0.79 JAK2 (0.55) JAK2JAK3KCNH2
SCHEMBL3671384 0.79 JAK2 (0.55) JAK2JAK3KCNH2
SCHEMBL3666814 0.79 JAK2 (0.55) 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 disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed