SCHEMBL6768596

SCHEMBL6768596

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
ADORA2A P29274 8/20 0.46
TLR7 Q9NYK1 6/20 0.45
TLR8 Q9NR97 4/20 0.45
CCR5 P51681 1/20 0.42
GAA P10253 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL6775222 0.90 TLR7 (0.46) ADORA2ATLR7TLR8GAANAMPT
SCHEMBL6773863 0.89 GAA (0.47) MCHR1TLR7TLR8GAANAMPT
SCHEMBL6773077 0.88 MCHR1 (0.49) MCHR1ADORA2ACCR5GAANAMPT
SCHEMBL6776089 0.88 CCR3 (0.44) TLR7TLR8
SCHEMBL6773544 0.87 TLR7 (0.51) TLR7TLR8
SCHEMBL6779968 0.86 MCHR1 (0.47) MCHR1ADORA2ATLR7TLR8CCR5
SCHEMBL6772811 0.86 ALDH1A1 (0.46) TLR7TLR8NAMPTHDAC3
SCHEMBL6772850 0.85 TLR7 (0.44) TLR7TLR8HDAC3
SCHEMBL6780382 0.83 TLR7 (0.44) TLR7TLR8
SCHEMBL1312806 0.83 TLR7 (0.51) TLR7TLR8GAA

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
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed