SCHEMBL4847394

SCHEMBL4847394

CCCCCn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.53
HSP90AA1 P07900 13/20 0.53
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
ADORA2A P29274 1/20 0.50
CYP2C19 P33261 2/20 0.49
SLC29A1 Q99808 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL5172274 0.96 ADORA2A (0.55) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL2098713 0.87 HSP90AB1 (0.53) HSP90AB1HSP90AA1
SCHEMBL24941702 0.86 TK1 (0.60) HSP90AB1HSP90AA1ADORA2A
SCHEMBL5161283 0.85 HDAC1 (0.49) CDK1CCNE1CDK2ADORA2ACYP1A2
SCHEMBL27863480 0.84 HSP90AB1 (0.51) HSP90AB1HSP90AA1
SCHEMBL5161068 0.84 HDAC1 (0.51) CCNE1CDK2ADORA2ACYP1A2
SCHEMBL20820140 0.84 CDK1 (0.68) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL27854926 0.83 CDK1 (0.71) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4845463 0.83 CDK1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4849504 0.83 TLR9 (0.51) HSP90AB1HSP90AA1CDK1CCNB1CCNE1

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