SCHEMBL7055995

SCHEMBL7055995

CNC(=O)Nc1sc(-c2ccc(N)cc2)cc1C(=O)NC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.62
MAP4K4 O95819 1/20 0.62
IKBKB O14920 4/20 0.46
JAK2 O60674 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EIF2AK2 P19525 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK3 P52333 2/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL7058327 0.89 IKBKB (0.58) CHEK1MAP4K4IKBKBJAK2MEN1
SCHEMBL7058543 0.88 CHEK1 (0.50) CHEK1MAP4K4IKBKBMEN1KMT2A
SCHEMBL7057671 0.88 CHEK1 (0.56) CHEK1MAP4K4IKBKBJAK2HDAC6
SCHEMBL7055932 0.86 CHEK1 (0.59) CHEK1MAP4K4IKBKBJAK2MEN1
SCHEMBL7052328 0.86 CHEK1 (0.78) CHEK1MAP4K4IKBKBJAK2NPC1
SCHEMBL7055235 0.84 CHEK1 (0.62) CHEK1MAP4K4IKBKBHDAC6NPC1
SCHEMBL7051467 0.84 CHEK1 (0.56) CHEK1MAP4K4IKBKBNPC1MAPT
SCHEMBL7052959 0.80 CHEK1 (0.49) CHEK1MAP4K4IKBKBTDP1HDAC6
SCHEMBL7050462 0.80 CHEK1 (0.54) CHEK1MAP4K4IKBKBHDAC6NPC1
SCHEMBL7055165 0.80 CHEK1 (0.54) CHEK1MAP4K4IKBKBTDP1MAPT

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
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed