SCHEMBL23704513

SCHEMBL23704513

COc1cc(CCl)ccc1Cn1ncc2nc(N)nc(NCc3noc(C)n3)c21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.55
▸ KCNH2 Q12809 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL30097863 0.93 TLR7 (0.54) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23704509 0.93 TLR7 (0.54) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23718947 0.88 TLR7 (0.61) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23718976 0.88 TLR7 (0.72) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23718910 0.88 TLR7 (0.57) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23704586 0.87 TLR7 (0.43) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL29971178 0.87 TLR7 (0.42) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23712021 0.86 TLR7 (0.59) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23711677 0.86 TLR7 (0.59) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23718948 0.86 TLR7 (0.59) TLR7KCNH2CYP2D6CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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