SCHEMBL3673920

SCHEMBL3673920

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(=O)N4CC(O)C4)n3)s2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.51
KCNH2 Q12809 3/20 0.45
JAK3 P52333 3/20 0.40
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MAPK1 P28482 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
SCHEMBL3676544 0.92 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3675335 0.88 JAK2 (0.47) JAK2KCNH2JAK3
SCHEMBL3674282 0.88 JAK2 (0.48) JAK2KCNH2JAK3ALOX5APFEN1
SCHEMBL3673644 0.87 JAK2 (0.51) JAK2KCNH2JAK3ALOX5APFEN1
SCHEMBL3671041 0.85 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3510859 0.84 JAK2 (0.53) JAK2KCNH2JAK3ALOX5APFEN1
SCHEMBL3671384 0.84 JAK2 (0.55) JAK2KCNH2JAK3ALOX5APFEN1
SCHEMBL3672085 0.84 JAK2 (0.55) JAK2KCNH2JAK3ALOX5APFEN1
SCHEMBL3671261 0.82 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3510670 0.79 JAK2 (0.53) 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