SCHEMBL3671012

SCHEMBL3671012

CO[C@@H]1CCN(C(=O)c2cccc(Nc3sc(-c4ccc(CC(C)O)cc4F)cc3C(N)=O)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.47
KCNH2 Q12809 3/20 0.45
JAK3 P52333 2/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
NTRK1 P04629 1/20 0.36
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 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
SCHEMBL3673952 0.88 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3673644 0.88 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3675335 0.88 JAK2 (0.47) JAK2KCNH2JAK3PARP1PARP2
SCHEMBL3666374 0.87 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3511604 0.85 JAK2 (0.49) JAK2KCNH2JAK3PARP1PARP2
SCHEMBL3509783 0.85 JAK2 (0.49) JAK2KCNH2JAK3PARP1PARP2
SCHEMBL3668340 0.83 JAK2 (0.45) JAK2KCNH2JAK3ADORA3ADORA2A
SCHEMBL3677381 0.82 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3676544 0.82 JAK2 (0.49) JAK2KCNH2JAK3NTRK1
SCHEMBL3670134 0.81 JAK2 (0.50) 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 claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed