SCHEMBL14679554

SCHEMBL14679554

NC(=O)c1cc(-c2ccc(CI)nc2)sc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.55
GAA P10253 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 4/20 0.42
GFER P55789 1/20 0.42
ALOX15 P16050 6/20 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
ADORA1 P30542 2/20 0.40
JAK2 O60674 5/20 0.38
JAK3 P52333 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
EIF2AK2 P19525 1/20 0.36

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
SCHEMBL3673493 0.82 IKBKB (0.50) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL13139605 0.79 IKBKB (0.59) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3508452 0.79 IKBKB (0.59) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3671299 0.78 IKBKB (0.46) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3508553 0.75 IKBKB (0.54) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3512249 0.75 IKBKB (0.54) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3507771 0.73 IKBKB (0.73) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3507692 0.73 IKBKB (0.67) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3508652 0.73 IKBKB (0.67) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL613585 0.72 IKBKB (0.71) IKBKBGAAALDH1A1MEN1KMT2A

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
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed