SCHEMBL4849504

SCHEMBL4849504

CCCCCn1cnc2c(Br)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.51
TLR7 Q9NYK1 3/20 0.51
CCNE1 P24864 4/20 0.50
CDK2 P24941 4/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
ADORA2A P29274 2/20 0.50
SLC29A1 Q99808 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL20820140 0.84 CDK1 (0.68) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL4847394 0.83 HSP90AB1 (0.53) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL4848376 0.83 CDK1 (0.50) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL4845463 0.83 CDK1 (0.53) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL22348820 0.82 CCNE1 (0.52) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL3922885 0.81 CDK1 (0.71) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL22348853 0.80 HSP90AA1 (0.51) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL6744537 0.78 ADORA2A (0.55) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL5172274 0.78 ADORA2A (0.55) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL4850257 0.77 ADORA2A (0.42) TLR7CDK2CDK1CCNB1ADORA2A

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 6 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
EP-1375502-B1 PROCESS FOR PRODUCING 2,6-DIHALOGENOPURINE SUMITOMO CHEMICAL CO (JP) 2007-06-13 EP 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