SCHEMBL3674555

SCHEMBL3674555

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCC(=O)N4CCOCC4)n3)s2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.57
KCNH2 Q12809 3/20 0.57
JAK3 P52333 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3669045 0.89 JAK2 (0.56) JAK2KCNH2JAK3MAPT
SCHEMBL3512259 0.87 JAK2 (0.60) JAK2KCNH2JAK3MAPT
SCHEMBL3674093 0.86 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3678791 0.85 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3671965 0.85 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3669133 0.85 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3675449 0.84 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3511361 0.84 JAK2 (0.55) JAK2KCNH2JAK3MEN1KMT2A
SCHEMBL3676861 0.83 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3679852 0.83 JAK2 (0.51) 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