SCHEMBL3671648

SCHEMBL3671648

CC(O)Cc1ccc(-c2cc(C(N)=O)c(N)s2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
JAK2 O60674 3/20 0.39
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
MAPK8 P45983 1/20 0.33
GAA P10253 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
PLA2G10 O15496 3/20 0.33
PLA2G2A P14555 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL1428013 0.84 IKBKB (0.43) IKBKBJAK2MAPK8GAAALDH1A1
SCHEMBL1428734 0.81 IKBKB (0.58) IKBKBGAAALDH1A1MAPTHPGD
SCHEMBL3677577 0.80 JAK2 (0.50) IKBKBJAK2
SCHEMBL13269976 0.80 IKBKB (0.47) IKBKBJAK2ALOX5APFEN1DGAT1
SCHEMBL1428011 0.79 IKBKB (0.43) IKBKBJAK2ALOX5APFEN1MAPT
SCHEMBL3509165 0.78 JAK2 (0.53) IKBKBJAK2ALOX5APFEN1MAPK8
SCHEMBL3671507 0.77 JAK2 (0.58) JAK2
SCHEMBL3675737 0.75 JAK2 (0.56) JAK2
SCHEMBL3674591 0.75 JAK2 (0.58) JAK2
SCHEMBL3677381 0.75 JAK2 (0.58) JAK2

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