SCHEMBL5353039

SCHEMBL5353039

CCCc1nc2c(N)nc3c(c2n1CC(C)C)CNCC3

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.42
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
TLR8 Q9NR97 5/20 0.32

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
SCHEMBL5364985 0.91 TLR7 (0.42) TLR7TLR8
SCHEMBL3355061 0.85 TLR7 (0.49) TLR7TLR8
SCHEMBL5368557 0.76 TLR7 (0.39) TLR7TLR8
SCHEMBL3352374 0.74 TLR7 (0.33) TLR7
SCHEMBL8113805 0.74 TLR7 (0.39) TLR7TLR8
SCHEMBL14344867 0.74 TLR7 (0.39) TLR7TLR8
SCHEMBL5351611 0.74 TLR7 (0.37) TLR7TLR8
SCHEMBL5118920 0.72 TLR7 (0.42) TLR7TLR8
SCHEMBL3353979 0.72 TLR7 (0.49) TLR7TLR8
SCHEMBL3352028 0.72 TLR7 (0.49) TLR7TLR8

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
WO-2007143526-A2 SUBSTITUTED TETRAHYDROIMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-12-13 WO disclosed