SCHEMBL14699729

SCHEMBL14699729

Cn1c(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)nc2C(N)=O)ccc1C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
KCNH2 Q12809 1/20 0.38
TBK1 Q9UHD2 8/20 0.34
IKBKE Q14164 7/20 0.34
PIM1 P11309 4/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL14699721 0.88 JAK2 (0.37) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL13464977 0.80 JAK2 (0.53) JAK2JAK3KCNH2
SCHEMBL1248438 0.78 JAK2 (0.43) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1246903 0.78 JAK2 (0.42) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1248345 0.77 JAK2 (0.44) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1246898 0.74 PIM1 (0.39) JAK2JAK3KCNH2PIM1PIM3
SCHEMBL2180150 0.74 JAK2 (0.47) JAK2JAK3KCNH2
SCHEMBL1248346 0.72 JAK2 (0.42) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL2178450 0.72 JAK2 (0.74) JAK2JAK3KCNH2MAPT
SCHEMBL1248277 0.69 JAK2 (0.44) JAK2JAK3KCNH2TBK1IKBKE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed