SCHEMBL30012779

SCHEMBL30012779

COc1ccc(Cn2c(=O)[nH]c3c(OC)nc(N)nc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.62
PNP P00491 1/20 0.57
TRAP1 Q12931 3/20 0.55
HSP90B1 P14625 1/20 0.55
MTOR P42345 1/20 0.50
ADORA2A P29274 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NUDT1 P36639 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TYMS P04818 1/20 0.47

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
SCHEMBL23392757 1.00 TLR7 (0.62) TLR7PNPTRAP1HSP90B1MTOR
SCHEMBL23202316 0.89 TRAP1 (0.69) TLR7PNPTRAP1HSP90B1MTOR
SCHEMBL30012102 0.89 TRAP1 (0.69) TLR7PNPTRAP1HSP90B1MTOR
SCHEMBL23202278 0.88 TLR7 (0.57) TLR7PNPTRAP1HSP90B1MTOR
SCHEMBL30011499 0.88 TLR7 (0.57) TLR7PNPTRAP1HSP90B1MTOR
SCHEMBL18207505 0.81 TLR7 (0.71) TLR7PNPNUDT1
SCHEMBL23392983 0.79 MTOR (0.55) TLR7PNPTRAP1MTORALDH1A1
SCHEMBL30110559 0.79 MTOR (0.55) TLR7PNPTRAP1MTORALDH1A1
SCHEMBL18207625 0.78 TLR7 (0.67) TLR7PNPNUDT1
SCHEMBL21318950 0.77 TLR7 (0.68) TLR7PNPNUDT1

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
CN-115427063-A TLR7 agonists 普利缪尼治疗学股份有限公司 2022-12-02 CN disclosed
EP-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 EP disclosed