SCHEMBL30684385

SCHEMBL30684385

N#CCOc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CC[C@@H]1NC(=O)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 3/20 0.33
▸ ROCK2 O75116 3/20 0.32
▸ JAK1 P23458 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
SCHEMBL26913846 1.00 CGAS (0.33) CGASROCK2JAK1
SCHEMBL30684348 0.91 CGAS (0.33) CGASROCK2JAK1
SCHEMBL30684406 0.91 CGAS (0.33) CGASROCK2JAK1
SCHEMBL26912604 0.91 CGAS (0.33) CGASROCK2JAK1
SCHEMBL26912994 0.91 CGAS (0.33) CGASROCK2JAK1
SCHEMBL30684417 0.90 ROCK2 (0.35) CGASROCK2
SCHEMBL26912886 0.90 ROCK2 (0.35) CGASROCK2
SCHEMBL26912229 0.87 ROCK2 (0.33) CGASROCK2
SCHEMBL30684392 0.84 CGAS (0.33) CGASROCK2
SCHEMBL26913059 0.84 CGAS (0.33) CGASROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 — — WO disclosed
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