SCHEMBL6773368

SCHEMBL6773368

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.43
TLR8 Q9NR97 8/20 0.43
NUDT1 P36639 1/20 0.43
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TGFBR1 P36897 1/20 0.37
ATR Q13535 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL6772904 0.92 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6768740 0.91 NPC1 (0.42) TLR7TLR8NUDT1
SCHEMBL6779023 0.90 GAA (0.40) TLR7TLR8NUDT1
SCHEMBL6768623 0.89 CCR2 (0.43)
SCHEMBL6769722 0.89 MAPK7 (0.42)
SCHEMBL6773545 0.89 TLR7 (0.43) TLR7TLR8NAMPT
SCHEMBL6777299 0.89 ALDH1A1 (0.43) TLR7TLR8NUDT1HDAC3HDAC4
SCHEMBL6768386 0.89 TLR7 (0.42) TLR7TLR8NUDT1HDAC3HDAC4
SCHEMBL6773100 0.88 RAB9A (0.46) TLR7TLR8NUDT1
SCHEMBL6279887 0.87 TLR7 (0.41) 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