SCHEMBL6672838

SCHEMBL6672838

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCN(C(=O)c1ccco1)C(N)=S

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.40
TLR8 Q9NR97 6/20 0.37
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6670803 0.87 TP53 (0.34) TLR7KDM4EALDH1A1GLAGAA
SCHEMBL6286172 0.82 ALDH1A1 (0.45) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL5616918 0.75 TLR8 (0.42) TLR7TLR8NUDT1
SCHEMBL6287381 0.74 KMT2A (0.44) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6771821 0.73 TLR7 (0.47) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6935777 0.72 TLR8 (0.41) TLR7TLR8NUDT1
SCHEMBL6774879 0.72 TLR7 (0.48) TLR7TLR8NUDT1KDM4EGAA
SCHEMBL6778860 0.72 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6773544 0.71 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL1615363 0.71 TLR8 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451186-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed