SCHEMBL7570132

SCHEMBL7570132

CCCCn1c(N)nc2cnc3ccccc3c21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.59
POLB P06746 1/20 0.48
CXCR4 P61073 1/20 0.47
TLR7 Q9NYK1 6/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20796976 0.84 TLR7 (0.46) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL6722349 0.82 TLR7 (0.50) TLR8POLBTLR7PDE4APDE4B
SCHEMBL10587326 0.80 TLR7 (0.48) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL1170709 0.80 TLR7 (0.49) TLR8POLBCXCR4TLR7PDE4D
SCHEMBL3969036 0.79 TLR7 (0.62) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL18998178 0.78 KDM4E (0.54) POLBTLR7CYP1A2CYP2D6TDP1
SCHEMBL23422154 0.78 TLR7 (0.67) TLR8TLR7PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL3975344 0.78 TLR7 (0.61) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL5356378 0.77 TLR7 (0.52) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL16512991 0.77 TLR8 (0.64) TLR8POLBCXCR4TLR7CYP1A2

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-1198232-A4 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1198232-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP claimed
WO-2000076518-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed