SCHEMBL30012102

SCHEMBL30012102

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

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 12/20 0.69
HSP90B1 P14625 9/20 0.69
TLR7 Q9NYK1 4/20 0.63
PNP P00491 1/20 0.58
HSP90AA1 P07900 5/20 0.57
ADORA2A P29274 1/20 0.51
MTOR P42345 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL23202316 1.00 TRAP1 (0.69) TRAP1HSP90B1TLR7PNPHSP90AA1
SCHEMBL23392757 0.89 TLR7 (0.62) TRAP1HSP90B1TLR7PNPADORA2A
SCHEMBL30012779 0.89 TLR7 (0.62) TRAP1HSP90B1TLR7PNPADORA2A
SCHEMBL873984 0.86 TRAP1 (0.70) TRAP1HSP90B1TLR7HSP90AA1ADORA2A
SCHEMBL31392742 0.83 TLR7 (0.56) TRAP1HSP90B1TLR7PNPMTOR
SCHEMBL23202278 0.82 TLR7 (0.57) TRAP1HSP90B1TLR7PNPADORA2A
SCHEMBL30011499 0.82 TLR7 (0.57) TRAP1HSP90B1TLR7PNPADORA2A
SCHEMBL18207505 0.82 TLR7 (0.71) TLR7PNP
SCHEMBL23202479 0.81 TLR7 (0.53) TRAP1HSP90B1TLR7PNPMTOR
SCHEMBL31392660 0.81 TLR7 (0.53) TRAP1HSP90B1TLR7PNPMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533607-B TLR7 agonists 普利缪尼治疗学股份有限公司 2025-01-07 CN disclosed
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