Sugi Predict

Sugi Predict / Compounds / SCHEMBL4793345

SCHEMBL4793345

SCHEMBL4793345

CCCc1nc2c(N)nc(C)c(C)c2n1CCOCc1ccccc1.CCCc1nc2c(Oc3ccccc3)nc(C)c(C)c2n1CCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.47
▸ TLR8 Q9NR97 3/20 0.47
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL4795552 0.94 TLR7 (0.42) TLR7TLR8HPGDSMN1; SMN2
SCHEMBL4790622 0.92 TLR7 (0.54) TLR7TLR8
SCHEMBL4793191 0.88 TLR7 (0.40) TLR7TLR8
SCHEMBL4792064 0.86 TLR7 (0.61) TLR7TLR8
SCHEMBL4794543 0.85 TLR8 (0.45) TLR7TLR8SMN1; SMN2
SCHEMBL4794940 0.82 TLR7 (0.51) TLR7TLR8
SCHEMBL4794665 0.82 TLR8 (0.59) TLR7TLR8
SCHEMBL4791598 0.82 ALDH1A1 (0.37) TLR7
SCHEMBL4875215 0.79 TLR7 (0.39) TLR7TLR8HPGDSMN1; SMN2
SCHEMBL4867497 0.78 TLR7 (0.47) TLR7TLR8HPGD

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-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 — — EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 — — EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 — — WO disclosed