SCHEMBL5232863

SCHEMBL5232863

COc1ccc(C(N)=O)cc1-c1ccc2scnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
RIPK2 O43353 4/20 0.45
LCK P06239 4/20 0.45
KDR P35968 4/20 0.45
TGFBR1 P36897 4/20 0.45
CHEK2 O96017 4/20 0.45
CHEK1 O14757 2/20 0.45
MAPK1 P28482 1/20 0.44
FYN P06241 2/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 1/20 0.41
ATR Q13535 1/20 0.41
DYRK2 Q92630 1/20 0.41
FASN P49327 1/20 0.40

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
SCHEMBL5801938 0.81 TGFBR1 (0.50) ARRIPK2LCKKDRTGFBR1
SCHEMBL4155826 0.79 NPC1 (0.53) RIPK2LCKKDRTGFBR1FASN
SCHEMBL5222476 0.79 AR (0.51) ARRIPK2LCKKDRTGFBR1
Hydrochloric Acid SCHEMBL6384354 0.77 NPC1 (0.51) RIPK2LCKKDRTGFBR1FASN
SCHEMBL5226396 0.77 RIPK2 (0.43) RIPK2LCKKDRTGFBR1MKNK1
SCHEMBL5232870 0.76 RIPK2 (0.45) RIPK2LCKKDRTGFBR1CHEK1
SCHEMBL5222099 0.76 AURKA (0.55) RIPK2LCKKDRTGFBR1CHEK2
SCHEMBL5802265 0.73 JAK2 (0.49) RIPK2LCKKDRTGFBR1POLB
SCHEMBL15616734 0.73 AR (0.53) ARCHEK2CHEK1MAPK1FYN
SCHEMBL21909897 0.73 CHEK2 (0.46) ARCHEK2CHEK1MAPK1FYN

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-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed