SCHEMBL4798283

SCHEMBL4798283

NC(=O)n1cnc2c(Br)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.39
ADORA1 P30542 10/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CDK1 P06493 5/20 0.37
CCNB1 P14635 5/20 0.37
CCNE1 P24864 5/20 0.37
CDK2 P24941 5/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
PARP1 P09874 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL4797785 0.82 HDAC6 (0.47) ADORA2AADORA1HSP90AA1HSP90AB1HDAC6
SCHEMBL4797368 0.81 ADORA2A (0.39) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL4796358 0.81 ADORA2A (0.39) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL3392715 0.75 HSP90AB1 (0.41) ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL4796763 0.74 ADORA2A (0.32) ADORA2AADORA1PARP1
SCHEMBL1395393 0.74 HSP90AB1 (0.46) ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL3272905 0.70 HDAC6 (0.48) ADORA2AADORA1HSP90AA1HSP90AB1HDAC6
SCHEMBL3394497 0.70 ALDH1A1 (0.44) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4446276 0.70 XDH (0.54)
SCHEMBL27854858 0.69 CDK1 (0.53) ADORA2AADORA1HSP90AA1HSP90AB1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321035-B2 Process for producing 2,6-dihalogenopurine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-01-22 US disclosed
US-6936713-B2 Process for producing 2,6-dihalogenopurine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-30 US disclosed
US-20050090666-A1 Process for producing 2,6-dihalogenopurine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1375502-A1 PROCESS FOR PRODUCING 2,6-DIHALOGENOPURINE SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-02 EP disclosed
US-20030144508-A1 Process for producing 2,6-dihalogenopurine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-31 US disclosed