SCHEMBL4796763

SCHEMBL4796763

NC(=O)n1cnc2nc(N)nc(Br)c21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL27757061 0.82 ADORA2A (0.33) ADORA2AADORA1PARP1
SCHEMBL4795557 0.82 DPP4 (0.38) ADORA2AADORA1PARP1
SCHEMBL4800791 0.81 CDK2 (0.37) ADORA2AADORA1PARP1
SCHEMBL4796781 0.81 ADORA2A (0.32) ADORA2AADORA1PARP1
SCHEMBL4798283 0.74 ADORA2A (0.39) ADORA2AADORA1PARP1
SCHEMBL27736500 0.68 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL4850257 0.64 ADORA2A (0.42) ADORA2A
SCHEMBL22108809 0.62 ALDH1A1 (0.55) ADORA2AADORA1PARP1
SCHEMBL22601410 0.62 ALDH1A1 (0.38) PARP1
SCHEMBL4797785 0.62 HDAC6 (0.47) ADORA2AADORA1

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