SCHEMBL5222099

SCHEMBL5222099

NC(=O)c1cccc(-c2ccc3scnc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
KDR P35968 8/20 0.48
RIPK2 O43353 7/20 0.48
TGFBR1 P36897 7/20 0.48
LCK P06239 7/20 0.48
LIMK1 P53667 2/20 0.47
LIMK2 P53671 1/20 0.47
ERN1 O75460 1/20 0.46
PDE2A O00408 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE10A Q9Y233 1/20 0.46
FASN P49327 1/20 0.46
USP7 Q93009 1/20 0.45
CCNT1 O60563 1/20 0.45
CCND1 P24385 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL5341764 0.89 DYRK1A (0.52) AURKATGFBR1LIMK1LIMK2ERN1
SCHEMBL1845567 0.87 KDM4E (0.56) AURKAKDRRIPK2TGFBR1LIMK1
SCHEMBL29627363 0.87 KDM4E (0.56) AURKAKDRRIPK2TGFBR1LIMK1
SCHEMBL4155826 0.83 NPC1 (0.53) KDRRIPK2TGFBR1LCKFASN
Hydrochloric Acid SCHEMBL6384354 0.82 NPC1 (0.51) KDRRIPK2TGFBR1LCKFASN
SCHEMBL28048502 0.78 ALDH1A1 (0.54) AURKAKDRRIPK2TGFBR1LCK
SCHEMBL13394458 0.77 MAP4K4 (0.49) AURKAKDRRIPK2TGFBR1LCK
SCHEMBL29478085 0.76 RIPK2 (0.60) AURKAKDRRIPK2TGFBR1LCK
SCHEMBL927048 0.76 RIPK2 (0.60) AURKAKDRRIPK2TGFBR1LCK
SCHEMBL31324974 0.76 PIK3CA (0.55) LIMK1LIMK2ERN1CCNT1CCND1

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 6 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
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
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