SCHEMBL3668340

SCHEMBL3668340

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)N4CCC(O)C4)n3)s2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.45
KCNH2 Q12809 3/20 0.45
JAK3 P52333 3/20 0.45
CBLB Q13191 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL3669068 0.88 JAK2 (0.47) JAK2KCNH2JAK3
SCHEMBL3673325 0.87 JAK2 (0.44) JAK2KCNH2JAK3
SCHEMBL3512281 0.86 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3670149 0.86 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3673644 0.85 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3671012 0.83 JAK2 (0.47) JAK2KCNH2JAK3ADORA2AADORA3
SCHEMBL3672834 0.82 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3673952 0.81 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3671054 0.81 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3666374 0.80 JAK2 (0.49) 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