SCHEMBL6776337

SCHEMBL6776337

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=S)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.45
TLR7 Q9NYK1 9/20 0.44
NUDT1 P36639 1/20 0.44
QPCT Q16769 5/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6776249 0.91 QPCT (0.47) TLR8QPCTKMT2AALDH1A1GAA
SCHEMBL6776452 0.89 TLR7 (0.46) TLR8TLR7NUDT1ALDH1A1MAPT
SCHEMBL6779314 0.86 QPCT (0.45) QPCTKMT2AALDH1A1GAAPOLB
SCHEMBL6674213 0.85 TLR7 (0.50) TLR8TLR7KMT2A
SCHEMBL5030293 0.85 TLR7 (0.46) TLR8TLR7NUDT1KMT2AALDH1A1
SCHEMBL6778839 0.84 MAPKAPK2 (0.43) TLR8TLR7NUDT1QPCTGAA
SCHEMBL6771821 0.84 TLR7 (0.47) TLR8TLR7NUDT1KMT2AALDH1A1
Water SCHEMBL6094303 0.84 TLR7 (0.49) TLR8TLR7
SCHEMBL6773544 0.84 TLR7 (0.51) TLR8TLR7NUDT1
SCHEMBL6779064 0.82 TLR8 (0.40) TLR8TLR7NUDT1QPCTKMT2A

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed