SCHEMBL6801104

SCHEMBL6801104

CCCCc1nc2cccnc2c2c1ncn2CCCCN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.41
TLR7 Q9NYK1 6/20 0.41
SLC29A1 Q99808 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
HRH4 Q9H3N8 1/20 0.33
GAA P10253 1/20 0.33
ADORA2A P29274 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
SCHEMBL3358559 0.81 TLR7 (0.43) TLR8TLR7SLC29A1TDP1PDE4D
SCHEMBL6441603 0.77 HSP90AA1 (0.36) TLR8TLR7ALDH1A1TDP1PDE4A
SCHEMBL3355969 0.73 SMN1; SMN2 (0.38) TDP1KMT2A
SCHEMBL3352351 0.72 TLR7 (0.73) TLR8TLR7
SCHEMBL18587110 0.72 TLR7 (0.46) TLR8TLR7PDE4DHRH4ADORA2A
SCHEMBL9551426 0.71 TLR7 (0.47) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL8125528 0.71 TLR8 (0.56) TLR8TLR7
SCHEMBL8150493 0.70 TLR8 (0.37) TLR8TLR7
SCHEMBL6439609 0.68 TLR7 (0.40) TLR8TLR7ALDH1A1KMT2APDE4D
SCHEMBL4791547 0.68 TLR7 (0.42) TLR8TLR7SLC29A1ALDH1A1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693113-B2 2-methyl-1-(2-methylpropyl)-1H-imidazo[4,5-c][1,5]napthyridin-4 amine 3M INNOVATIVE PROPERTIES COMPANY 2004-02-17 US disclosed