SCHEMBL4845463

SCHEMBL4845463

CCCCCn1cnc2c(I)nc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNE1 P24864 3/20 0.53
CDK2 P24941 3/20 0.53
ADORA2A P29274 2/20 0.50
SLC29A1 Q99808 3/20 0.49
CYP2C19 P33261 2/20 0.49
TLR9 Q9NR96 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 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) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4848376 0.83 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4847394 0.83 HSP90AB1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4849504 0.83 TLR9 (0.51) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL22348820 0.82 CCNE1 (0.52) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3922885 0.81 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL22348853 0.80 HSP90AA1 (0.51) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL6744537 0.78 ADORA2A (0.55) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5172274 0.78 ADORA2A (0.55) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL1377647 0.77 CDK1 (0.76) CDK1CCNB1CCNE1CDK2ADORA2A

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