SCHEMBL5222476

SCHEMBL5222476

NC(=O)c1ccc(C(F)(F)F)c(-c2ccc3scnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
RIPK2 O43353 6/20 0.45
LCK P06239 6/20 0.45
KDR P35968 6/20 0.45
TGFBR1 P36897 6/20 0.45
KDM1A O60341 1/20 0.41
FASN P49327 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.88 TGFBR1 (0.50) ARRIPK2LCKKDRTGFBR1
SCHEMBL4155826 0.79 NPC1 (0.53) RIPK2LCKKDRTGFBR1FASN
SCHEMBL5232863 0.79 AR (0.46) ARRIPK2LCKKDRTGFBR1
Hydrochloric Acid SCHEMBL6384354 0.77 NPC1 (0.51) RIPK2LCKKDRTGFBR1FASN
SCHEMBL5222484 0.76 RIPK2 (0.45) RIPK2LCKKDRTGFBR1CSNK1D
SCHEMBL5222099 0.76 AURKA (0.55) RIPK2LCKKDRTGFBR1FASN
SCHEMBL5802265 0.73 JAK2 (0.49) RIPK2LCKKDRTGFBR1KDM1A
SCHEMBL5785066 0.73 ALOX5AP (0.39) RIPK2LCKKDRTGFBR1KDM1A
SCHEMBL1851823 0.72 KIF11 (0.49) ALOX5APFEN1
SCHEMBL29598464 0.72 HDAC6 (0.46) RIPK2LCKKDRTGFBR1

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 claimed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO claimed