SCHEMBL5159720

SCHEMBL5159720

CCOCc1nc2cnc3ccccc3c2n1CC1(NC(=O)O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.40
TLR8 Q9NR97 7/20 0.40
NUDT1 P36639 1/20 0.40
ADAM17 P78536 4/20 0.40
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1141430 0.95 TLR7 (0.41) TLR7TLR8NUDT1ADAM17ALDH1A1
SCHEMBL1141319 0.93 TLR7 (0.37) TLR7TLR8NUDT1ADAM17ALDH1A1
SCHEMBL1141092 0.93 TLR7 (0.40) TLR7TLR8NUDT1ADAM17ALDH1A1
SCHEMBL1140954 0.91 TLR7 (0.42) TLR7TLR8NUDT1ADAM17ALDH1A1
SCHEMBL1140848 0.90 TLR7 (0.36) TLR7TLR8NUDT1ADAM17ALDH1A1
SCHEMBL1140917 0.89 TLR7 (0.40) TLR7TLR8NUDT1ADAM17MEN1
SCHEMBL5617020 0.86 TLR7 (0.41) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL1141106 0.86 TLR7 (0.37) TLR7TLR8NUDT1ADAM17MEN1
SCHEMBL5163539 0.85 RXFP1 (0.38) TLR7TLR8MEN1KMT2A
SCHEMBL1141121 0.84 TLR7 (0.42) TLR7TLR8NUDT1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765348-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-03-28 EP disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed