SCHEMBL4797368

SCHEMBL4797368

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.39
ADORA1 P30542 12/20 0.39
CDK1 P06493 6/20 0.37
CCNB1 P14635 6/20 0.37
CCNE1 P24864 6/20 0.37
CDK2 P24941 6/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
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) ADORA2AADORA1
SCHEMBL4796358 0.81 ADORA2A (0.39) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL4798283 0.81 ADORA2A (0.39) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL4796781 0.74 ADORA2A (0.32) ADORA2AADORA1PARP1
SCHEMBL3272905 0.70 HDAC6 (0.48) ADORA2AADORA1
SCHEMBL4446276 0.70 XDH (0.54)
SCHEMBL27854858 0.69 CDK1 (0.53) ADORA2AADORA1CDK1CCNB1CCNE1
SCHEMBL2346678 0.68 GSK3B (0.67) ADORA2AADORA1ADORA2BGSK3B
SCHEMBL4799051 0.68 HSP90AB1 (0.46)
Hydrochloric Acid SCHEMBL29003046 0.67 GSK3B (0.65) ADORA2AADORA1ADORA2BGSK3B

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