SCHEMBL3674658

SCHEMBL3674658

CCC(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.43
ALOX15 P16050 7/20 0.35
GAA P10253 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
PARP14 Q460N5 2/20 0.34
GFER P55789 1/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 1/20 0.32
KCNH2 Q12809 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 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
SCHEMBL1428657 0.83 IKBKB (0.43) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL1428102 0.81 IKBKB (0.54) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL1428013 0.81 IKBKB (0.43) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL1427929 0.80 IKBKB (0.58) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL1246906 0.76 JAK2 (0.48) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL1428011 0.70 IKBKB (0.43) IKBKBMAPTMEN1KMT2AHPGD
SCHEMBL3510550 0.68 JAK2 (0.44) IKBKBALDH1A1JAK2JAK3KCNH2
SCHEMBL3671648 0.68 IKBKB (0.43) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL3511496 0.67 IKBKB (0.63) IKBKBALOX15GAAALDH1A1MAPT
SCHEMBL3508176 0.66 IKBKB (0.62) IKBKBALOX15GAAALDH1A1MAPT

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