SCHEMBL19783274

SCHEMBL19783274

O=c1cnn(-c2cnc3nn(-c4cccnc4)cc3c2)c(=O)n1S

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
CYP11B2 P19099 1/20 0.36
CYP2A6 P11509 1/20 0.33
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
MTOR P42345 2/20 0.31
HTT P42858 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GRM1 Q13255 1/20 0.30
RPTOR Q8N122 1/20 0.30
MLST8 Q9BVC4 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
SCHEMBL21422301 0.87 TLR8 (0.38) TLR8CYP11B2CYP2A6EP300KAT2B
SCHEMBL21422266 0.85 ADORA2A (0.39) TLR8CYP11B2CYP2A6POLBGRM1
SCHEMBL19783854 0.84 TLR8 (0.38) TLR8CYP11B2CYP2A6EP300KAT2B
SCHEMBL19784106 0.81 TLR8 (0.38) TLR8CYP11B2CYP2A6EP300KAT2B
SCHEMBL19783996 0.79 TLR8 (0.36) TLR8CYP2A6MTORHTTGAA
SCHEMBL19784142 0.76 TLR8 (0.35) TLR8CYP11B2CYP2A6EP300KAT2B
SCHEMBL21422265 0.74 TLR8 (0.43) TLR8CYP2A6HTTPOLBGAA
SCHEMBL17803459 0.71 CYP2A6 (0.40) TLR8CYP11B2CYP2A6HTTGAA
SCHEMBL17803445 0.71 CYP2A6 (0.40) TLR8CYP11B2CYP2A6EP300KAT2B
SCHEMBL19342601 0.71 CYP2A6 (0.43) TLR8CYP11B2CYP2A6HTTGAA

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-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed