SCHEMBL8570253

SCHEMBL8570253

c1cc2cnc3ccsc3c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PDPK1 O15530 1/20 0.42
PARP1 P09874 1/20 0.42
ADORA2A P29274 11/20 0.37
ADORA1 P30542 11/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.35
ADORA3 P0DMS8 4/20 0.34
ADORA2B P29275 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3277153 0.75 KDM4E (0.53) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL38650866 0.74 AXL (0.38) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL8599120 0.72 KDM4E (0.51) ADORA2AADORA1MEN1KMT2AHTT
SCHEMBL31025953 0.70 AXL (0.42) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL377324 0.70 KDM4E (0.56) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL28026979 0.68 KDM4E (0.55) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL3577404 0.67 AXL (0.48) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL21566251 0.67 AXL (0.40) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL34461816 0.67 AXL (0.40) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL2667285 0.67 PDPK1 (0.42) AXLMKNK1MKNK2PDPK1PARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587473-B1 Condensed pyridine derivatives as inhibitors of the effects of free radicals SANOFI SA (FR) 1998-11-11 EP disclosed
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed
EP-0587473-A1 Condensed pyridine derivatives as inhibitors of the effects of free radicals SANOFI (FR) 1994-03-16 EP disclosed