SCHEMBL4769814

SCHEMBL4769814

CCOCc1nc2cnc3ccccc3c2n1CC(C)(C)NC(=O)CCCCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.52
TLR8 Q9NR97 11/20 0.52
NUDT1 P36639 1/20 0.43
ALPL P05186 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACKR3 P25106 2/20 0.36
LMNA P02545 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
KMT2A Q03164 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL4127741 0.92 TLR7 (0.53) TLR7TLR8NUDT1ALPLLMNA
SCHEMBL4142764 0.92 TLR7 (0.60) TLR7TLR8NUDT1GBA1
SCHEMBL4122028 0.90 TLR7 (0.48) TLR7TLR8NUDT1LMNA
SCHEMBL4129216 0.88 TLR7 (0.49) TLR7TLR8NUDT1ALPLSMN1; SMN2
SCHEMBL5068477 0.87 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL18166856 0.87 TLR7 (0.44) TLR7TLR8NUDT1ACKR3LMNA
SCHEMBL4710315 0.86 TLR7 (0.52) TLR7TLR8NUDT1KMT2A
SCHEMBL4122208 0.85 TLR7 (0.48) TLR7TLR8NUDT1ALPLSMN1; SMN2
SCHEMBL4124564 0.85 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL3895075 0.85 TLR7 (0.48) TLR7TLR8NUDT1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874345-A4 IMMUNOSTIMULATORY COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2008-12-24 EP disclosed
EP-1874345-A2 IMMUNOSTIMULATORY COMPOSITIONS 3M Innovative Properties Company (US) 2008-01-09 EP disclosed
WO-2006116475-A2 IMMUNOSTIMULATORY COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-02 WO disclosed