SCHEMBL23704425

SCHEMBL23704425

COc1cc(CO)ccc1Cn1ncc2nc(NC(=O)O)nc(NCc3noc(C)n3)c21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ APP P05067 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL23718889 0.95 TLR7 (0.42) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL29971148 0.95 TLR7 (0.42) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23704586 0.94 TLR7 (0.43) TLR7KCNH2CYP3A4CYP2D6APP
SCHEMBL29970945 0.91 TLR7 (0.40) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23703969 0.90 TLR7 (0.44) TLR7KCNH2CYP3A4CYP2D6APP
SCHEMBL29971178 0.89 TLR7 (0.42) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23704509 0.88 TLR7 (0.54) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL30097863 0.88 TLR7 (0.54) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23704543 0.88 TLR7 (0.40) TLR7KCNH2APPACHE
SCHEMBL23703527 0.88 TLR7 (0.44) TLR7KCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4097105-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
WO-2021154664-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 — — WO disclosed
WO-2021154663-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 — — WO disclosed
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