SCHEMBL901543

SCHEMBL901543

Cn1cc(Cc2ccccc2)nc1N

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.61
LTB4R Q15722 4/20 0.50
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
BACE1 P56817 4/20 0.45
ADCY10 Q96PN6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 1/20 0.39
HTR6 P50406 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ADORA2B P29275 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
SCHEMBL902288 0.80 ALDH1A1 (0.50) TLR8BACE1ALDH1A1HTR6
SCHEMBL28882126 0.80 TLR8 (0.48) TLR8LTB4RADORA2AADORA1ALDH1A1
SCHEMBL14415476 0.77 TLR8 (0.49) TLR8LTB4RADORA2AADORA1ALDH1A1
SCHEMBL23812475 0.77 TLR8 (0.94) TLR8
SCHEMBL4149124 0.73 BACE1 (0.76) TLR8LTB4RBACE1
SCHEMBL2022025 0.69 ADORA2A (0.62) TLR8LTB4RADORA2AADORA1BACE1
SCHEMBL9409256 0.67 LTB4R (0.45) TLR8LTB4RADORA2AADORA1ADCY10
SCHEMBL5814723 0.67 NOS3 (0.43) TLR8LTB4R
SCHEMBL9914071 0.67 MAOA (0.54) TLR8ALDH1A1BRD4HRH4
SCHEMBL1045329 0.67 TLR8 (0.49) TLR8ADORA2AADORA1ALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041934-A1 POLYSUBSTITUTED 2-AMINOIMIDAZOLES FOR CONTROLLING BIOFILMS AND PROCESS FOR THEIR PRODUCTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-04-05 WO claimed
WO-2012041934-A1 POLYSUBSTITUTED 2-AMINOIMIDAZOLES FOR CONTROLLING BIOFILMS AND PROCESS FOR THEIR PRODUCTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-04-05 WO disclosed
CN-1060173-C Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 2001-01-03 CN disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed