SCHEMBL4773518

SCHEMBL4773518

[c]1nc(-c2ccnc3ccsc23)c2sccc2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.39
ADORA1 P30542 15/20 0.39
ADORA3 P0DMS8 4/20 0.36
ADORA2B P29275 4/20 0.36
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACVR1 Q04771 1/20 0.32

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
SCHEMBL5787933 0.69 AXL (0.33) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL25156828 0.68 KDR (0.38) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL23716941 0.67 PDK1 (0.47) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL1874049 0.66 AXL (0.34) ADORA2AADORA1ADORA2BAXLMKNK1
SCHEMBL23716942 0.66 CCNB2 (0.43) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL4037241 0.64 AXL (0.44) ADORA2AADORA1ADORA3ADORA2BAXL
SCHEMBL21393430 0.64 AXL (0.44) ADORA2AADORA1ADORA3ADORA2BAXL
SCHEMBL29631094 0.64 AXL (0.44) ADORA2AADORA1ADORA3ADORA2BAXL
SCHEMBL31324910 0.64 AXL (0.44) ADORA2AADORA1ADORA3ADORA2BAXL
SCHEMBL29368189 0.64 AXL (0.44) ADORA2AADORA1ADORA3ADORA2BAXL

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-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP claimed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed