SCHEMBL29950898

SCHEMBL29950898

COc1cc(Br)cnc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.32
SHMT2 P34897 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL28878932 1.00 AGXT (0.32) AGXTSHMT2NPC1ALDH1A1GAA
SCHEMBL1577309 0.82 AAK1 (0.32) AGXT
SCHEMBL10179826 0.81 TDP1 (0.35)
SCHEMBL2067797 0.79 POLB (0.36) AGXTSHMT2NPC1ALDH1A1GAA
SCHEMBL30473724 0.77 CNR2 (0.36) MAPT
SCHEMBL29078046 0.77 CNR2 (0.36) MAPT
SCHEMBL29843138 0.75 PYCR1 (0.43) ALDH1A1GAAMAPTMEN1POLB
SCHEMBL1430163 0.75 PYCR1 (0.43) ALDH1A1GAAMAPTMEN1POLB
SCHEMBL23704452 0.74 RAB9A (0.37) SHMT2NPC1ALDH1A1GAAMAPT
SCHEMBL188678 0.74 GRM5 (0.38) SHMT2NPC1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279765-B 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-11-12 CN disclosed
EP-4097108-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS Bristol-Myers Squibb Company (US) 2022-12-07 EP disclosed
EP-4097104-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS Bristol-Myers Squibb Company (US) 2022-12-07 EP disclosed
CN-115279765-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-11-01 CN disclosed
CN-115210235-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-10-18 CN disclosed