SCHEMBL3671380

SCHEMBL3671380

COCCc1ccc(Nc2sc(-c3ccc(C(C)COC)cc3F)cc2C(N)=O)nc1C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.50
KCNH2 Q12809 2/20 0.39
JAK3 P52333 1/20 0.37
CHEK1 O14757 2/20 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
SCHEMBL3669708 0.86 JAK2 (0.49) JAK2KCNH2JAK3CHEK1
SCHEMBL3669706 0.84 JAK2 (0.50) JAK2KCNH2JAK3CHEK1
SCHEMBL3671735 0.77 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3511833 0.76 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3670778 0.74 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3671041 0.73 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3674077 0.73 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3678031 0.72 JAK2 (0.48) JAK2KCNH2JAK3CHEK1
SCHEMBL3671384 0.72 JAK2 (0.55) JAK2KCNH2JAK3CHEK1
SCHEMBL3672085 0.72 JAK2 (0.55) 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