SCHEMBL30366123

SCHEMBL30366123

Cc1cc(Cl)cnc1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
HTR2C P28335 6/20 0.39
CHRM4 P08173 1/20 0.39
FAAH O00519 1/20 0.38
HTR6 P50406 4/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL18763946 0.90 HTR3A (0.44) PROKR1
SCHEMBL20135330 0.83 HTR2C (0.42) TLR9TLR8TLR7HTR2CCHRM4
SCHEMBL16760114 0.81 HTR2A (0.43) PROKR1HTR2CSLC6A2SLC6A4
SCHEMBL25723470 0.78 CHRM4 (0.40) TLR9TLR8TLR7HTR2CCHRM4
SCHEMBL30899636 0.77 CHRNB2 (0.40) HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL25275850 0.76 CHRM4 (0.39) TLR9TLR8TLR7HTR2CCHRM4
SCHEMBL31533212 0.76 EP300 (0.38) TLR9TLR8TLR7HTR2CCHRM4
SCHEMBL29287756 0.76 EP300 (0.38) TLR9TLR8TLR7HTR2CCHRM4
SCHEMBL31702071 0.72 PLAT (0.41) PROKR1
SCHEMBL18741830 0.71 HTR3A (0.44)

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
EP-4405051-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 CN disclosed
WO-2023046806-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed