SCHEMBL5802265

SCHEMBL5802265

NC(=O)c1ccc(N2CCOCC2)c(-c2ccc3scnc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.49
RIPK2 O43353 6/20 0.44
LCK P06239 6/20 0.44
KDR P35968 6/20 0.44
TGFBR1 P36897 6/20 0.44
FASN P49327 1/20 0.43
LRRK2 Q5S007 2/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
KDM1A O60341 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PIK3CA P42336 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL5802267 0.79 JAK2 (0.49) JAK2RIPK2LCKKDRTGFBR1
SCHEMBL4155826 0.74 NPC1 (0.53) RIPK2LCKKDRTGFBR1FASN
SCHEMBL5801938 0.73 TGFBR1 (0.50) JAK2RIPK2LCKKDRTGFBR1
SCHEMBL5222476 0.73 AR (0.51) JAK2RIPK2LCKKDRTGFBR1
SCHEMBL5232863 0.73 AR (0.46) RIPK2LCKKDRTGFBR1FASN
Hydrochloric Acid SCHEMBL6384354 0.72 NPC1 (0.51) RIPK2LCKKDRTGFBR1FASN
SCHEMBL31428619 0.71 CRBN (0.60) JAK2FASNALDH1A1LMNASMN1; SMN2
SCHEMBL5222099 0.71 AURKA (0.55) RIPK2LCKKDRTGFBR1FASN
Formamide SCHEMBL19667116 0.70 MAPK14 (0.41) LCKKDRLRRK2STK4STK3
SCHEMBL3120753 0.69 ALDH1A1 (0.54) KDM4EALDH1A1LMNAPOLBNPC1

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