SCHEMBL3672583

SCHEMBL3672583

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNCC(=O)NC4CCS(O)(O)C4)n3)s2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.44
KCNH2 Q12809 3/20 0.44
JAK3 P52333 3/20 0.38
LIPG Q9Y5X9 1/20 0.31
CHEK1 O14757 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL3669557 0.89 JAK2 (0.44) JAK2KCNH2JAK3LIPG
SCHEMBL3509150 0.87 JAK2 (0.49) JAK2KCNH2JAK3BTK
SCHEMBL3672735 0.83 JAK2 (0.48) JAK2KCNH2JAK3CHEK1BTK
SCHEMBL3669723 0.83 JAK2 (0.49) JAK2KCNH2JAK3CHEK1
SCHEMBL3669971 0.83 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3669887 0.82 JAK2 (0.54) JAK2KCNH2JAK3CHEK1
SCHEMBL3667837 0.81 JAK2 (0.47) JAK2KCNH2JAK3CHEK1
SCHEMBL3674995 0.81 JAK2 (0.53) JAK2KCNH2JAK3CHEK1
SCHEMBL3509146 0.81 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3674090 0.81 JAK2 (0.46) 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