SCHEMBL4540446

SCHEMBL4540446

CCCc1nc2c(NC(=O)CCC(=O)NC)nc3ccccc3c2s1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.88
TLR7 Q9NYK1 10/20 0.77
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL24052769 0.89 TLR8 (0.88) TLR8TLR7LMNA
SCHEMBL24052759 0.88 TLR8 (0.86) TLR8TLR7LMNA
SCHEMBL26100478 0.87 TLR8 (0.83) TLR8TLR7ADORA3
SCHEMBL25627724 0.84 TLR8 (0.78) TLR8TLR7LMNAMAOBADORA2A
SCHEMBL25630769 0.83 TLR8 (0.75) TLR8TLR7
SCHEMBL25630795 0.83 TLR8 (0.75) TLR8TLR7LMNA
SCHEMBL25630761 0.82 TLR8 (0.74) TLR8TLR7LMNA
SCHEMBL4540442 0.82 TLR8 (0.74) TLR8TLR7ADORA3
SCHEMBL24052314 0.81 TLR8 (0.73) TLR8TLR7ADORA3
SCHEMBL25630901 0.81 TLR8 (0.72) TLR8TLR7CYP2C9CYP2C19LMNA

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
EP-2125738-A1 IMMUNE RESPONSE MODIFIER COMPOSITIONS AND METHODS 3M Innovative Properties Company (US) 2009-12-02 EP disclosed
WO-2008079924-A1 IMMUNE RESPONSE MODIFIER COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO disclosed