SCHEMBL29809478

SCHEMBL29809478

Nc1nc2ccccc2c2c1ncn2Cc1ccc(CN2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HRH2 P25021 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR2A P28223 1/20 0.57
ADORA2A P29274 1/20 0.57
ADRA1A P35348 1/20 0.57
NUDT1 P36639 1/20 0.57
HTR2B P41595 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
HRH3 Q9Y5N1 5/20 0.47
TLR8 Q9NR97 4/20 0.45

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
SCHEMBL29977597 1.00 TLR7 (0.57) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL24732765 1.00 TLR7 (0.57) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL29808887 0.92 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL24732579 0.92 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL29977942 0.89 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3188618 0.88 TLR7 (0.67) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL3197884 0.86 TLR7 (0.66) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL29977385 0.85 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8120371 0.83 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL29976933 0.83 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D

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-117736210-A Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2024-03-22 CN disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed