SCHEMBL3673493

SCHEMBL3673493

CC(O)Cc1ccc(-c2cc(C(N)=O)c(N)s2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.50
GAA P10253 5/20 0.41
ALOX15 P16050 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 3/20 0.39
GFER P55789 1/20 0.39
NOS2 P35228 1/20 0.37
ADORA1 P30542 2/20 0.36
MAPK1 P28482 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL3671299 0.86 IKBKB (0.46) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL14679554 0.82 IKBKB (0.55) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL1428734 0.82 IKBKB (0.58) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL13139605 0.80 IKBKB (0.59) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL3511496 0.75 IKBKB (0.63) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL3508452 0.75 IKBKB (0.59) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL3512249 0.73 IKBKB (0.54) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL1682883 0.73 IKBKB (0.65) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL3670051 0.72 IKBKB (0.58) IKBKBGAAALOX15ALDH1A1MAPT
SCHEMBL1427929 0.72 IKBKB (0.58) IKBKBGAAALOX15ALDH1A1MAPT

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