Sugi Predict

Sugi Predict / Compounds / SCHEMBL6773648

SCHEMBL6773648

SCHEMBL6773648

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 14/20 0.48
▸ TLR8 Q9NR97 7/20 0.48
▸ NUDT1 P36639 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6771916 0.92 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6773147 0.92 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6775141 0.88 TLR7 (0.51) TLR7TLR8NUDT1MAPT
SCHEMBL6768345 0.87 ALDH1A1 (0.45) TLR7TLR8MEN1KMT2AMAPT
SCHEMBL6779814 0.86 FAAH (0.47) TLR7TLR8NUDT1KMT2AMAPT
SCHEMBL6286196 0.85 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6778839 0.84 MAPKAPK2 (0.43) TLR7TLR8NUDT1MAPT
SCHEMBL6771821 0.84 TLR7 (0.47) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL6777954 0.84 TLR7 (0.41) TLR7TLR8NUDT1KMT2AMAPT
SCHEMBL6768441 0.83 TLR7 (0.47) TLR7TLR8NUDT1

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