SCHEMBL3668784

SCHEMBL3668784

CC(=O)N(CC(=O)NC1CCCC1)Cc1cccc(Nc2sc(-c3c(F)cc(CC(C)O)cc3F)cc2C(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.46
KCNH2 Q12809 3/20 0.46
JAK3 P52333 3/20 0.46
CHEK1 O14757 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3674683 0.92 JAK2 (0.48) JAK2KCNH2JAK3CHEK1MEN1
SCHEMBL3673550 0.89 JAK2 (0.45) JAK2KCNH2JAK3CHEK1MEN1
SCHEMBL3511797 0.88 JAK2 (0.61) JAK2KCNH2JAK3ALDH1A1GLA
SCHEMBL3672735 0.87 JAK2 (0.48) JAK2KCNH2JAK3CHEK1
SCHEMBL3673945 0.83 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3672231 0.81 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3510009 0.80 JAK2 (0.63) JAK2KCNH2JAK3CHEK1MEN1
SCHEMBL3669584 0.79 JAK2 (0.55) JAK2KCNH2JAK3CHEK1
SCHEMBL3673886 0.79 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3671054 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