SCHEMBL28748293

SCHEMBL28748293

CCCCCCNc1nc(N)nc(-c2cc(OC)c(OC)c(OC)c2)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.56
ADORA2A P29274 7/20 0.56
KDM1A O60341 3/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 5/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
ADORA2B P29275 2/20 0.40

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
SCHEMBL6441108 0.91 ADORA1 (0.61) ADORA1ADORA2AKDM1ADCUN1D1ADORA2B
SCHEMBL27591986 0.80 TLR8 (0.58) ADORA1ADORA2ATLR8ADORA2B
SCHEMBL6441820 0.76 ADORA1 (0.57) ADORA1ADORA2AKDM1ADCUN1D1ADORA2B
SCHEMBL6441869 0.74 ADORA1 (0.65) ADORA1ADORA2AKDM1ADCUN1D1ADORA2B
SCHEMBL6440878 0.73 ADORA2A (0.63) ADORA1ADORA2AKDM1ADCUN1D1
SCHEMBL8889019 0.72 MAPK8 (0.47) TLR8
SCHEMBL6443011 0.72 ADORA1 (0.67) ADORA1ADORA2AKDM1ADCUN1D1ADORA2B
SCHEMBL8889038 0.71 MAPK8 (0.48) TLR8
SCHEMBL6440680 0.70 ADORA1 (0.62) ADORA1ADORA2AKDM1ADCUN1D1ADORA2B
SCHEMBL6441739 0.70 ADORA1 (0.61) ADORA1ADORA2ATLR8ADORA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 CN disclosed