SCHEMBL5368557

SCHEMBL5368557

CCCc1nc2c(N)nc3c(c2n1CC(C)C)CN(S(C)(=O)=O)CC3

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.39
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 2/20 0.31
TLR8 Q9NR97 3/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL14344867 0.92 TLR7 (0.39) TLR7ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5351611 0.85 TLR7 (0.37) TLR7ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14344550 0.80 TLR7 (0.37) TLR7ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5357675 0.76 TLR7 (0.36) TLR7MEN1KMT2ATLR8
SCHEMBL5353039 0.76 TLR7 (0.42) TLR7TLR8
SCHEMBL5361903 0.76 PDE10A (0.45) TLR7PDE10A
SCHEMBL5364985 0.74 TLR7 (0.42) TLR7TLR8
SCHEMBL8113805 0.70 TLR7 (0.39) TLR7ALDH1A1MEN1KMT2ATLR8
SCHEMBL5118920 0.68 TLR7 (0.42) TLR7TLR8
SCHEMBL3355061 0.68 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 2 patents. 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
WO-2007143526-A2 SUBSTITUTED TETRAHYDROIMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-12-13 WO disclosed