SCHEMBL3673091

SCHEMBL3673091

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CNC(=O)c4ccn(C)n4)n3)s2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.50
KCNH2 Q12809 3/20 0.50
JAK3 P52333 3/20 0.50
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL3511195 0.87 JAK2 (0.67) JAK2KCNH2JAK3PIK3CAPIK3CG
SCHEMBL3672088 0.86 JAK2 (0.48) JAK2KCNH2JAK3MAPK1
SCHEMBL3673945 0.85 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3672231 0.84 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3669629 0.83 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3676945 0.83 JAK2 (0.49) JAK2KCNH2JAK3MAPK1
SCHEMBL3673508 0.83 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3667995 0.82 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3670982 0.82 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3669591 0.82 JAK2 (0.48) 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