SCHEMBL5608708

SCHEMBL5608708

O=c1nc(-c2cs[c]c2-c2cnccn2)cc[nH]1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MAPK1 P28482 2/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
WNT3A P56704 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
ABL1 P00519 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL18210602 0.78 MAPK1 (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL7210200 0.63 MAPK1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGMAPK1
SCHEMBL3576025 0.63 MAPK1 (0.58) MAPK1ABL1
SCHEMBL30801230 0.63 MAPK1 (0.58) MAPK1ABL1
SCHEMBL1194064 0.61 KDM4E (0.55) MAPK1
SCHEMBL18210595 0.60 AXL (0.44) PIK3CAMAPK1
SCHEMBL916878 0.60 CCNT1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGMAPK1
SCHEMBL3569107 0.60 AXL (0.41) HDAC6PIK3CAMAPK1DYRK1AABL1
SCHEMBL6510183 0.59 PDE3B (0.42)
SCHEMBL18210540 0.59 HSP90AA1 (0.49)

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-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed