SCHEMBL1428013

SCHEMBL1428013

CC(O)Cc1cc(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
PARP14 Q460N5 2/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 6/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALOX15 P16050 4/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3671648 0.84 IKBKB (0.43) IKBKBPARP14GAAMAPTALDH1A1
SCHEMBL3674658 0.81 IKBKB (0.43) IKBKBPARP14GAAMAPTALDH1A1
SCHEMBL1428102 0.80 IKBKB (0.54) IKBKBGAAMAPTALDH1A1MEN1
SCHEMBL1428657 0.80 IKBKB (0.43) IKBKBPARP14POLBL3MBTL1GAA
SCHEMBL1428734 0.79 IKBKB (0.58) IKBKBGAAMAPTALDH1A1MEN1
SCHEMBL3668859 0.78 PRSS1 (0.32)
SCHEMBL1579549 0.77 JAK2 (0.43) IKBKBPARP14MEN1KMT2AJAK2
SCHEMBL3672482 0.77 JAK2 (0.59) JAK2JAK3KCNH2
SCHEMBL1579873 0.76 JAK2 (0.42) IKBKBPARP14MEN1KMT2AJAK2
SCHEMBL3420460 0.76 JAK2 (0.42) IKBKBPARP14MEN1KMT2AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310384-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-04-20 EP disclosed
EP-2299816-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2010005841-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-14 WO disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed