SCHEMBL30684346

SCHEMBL30684346

N#CCOc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.39
▸ PIM1 P11309 3/20 0.37
▸ PGK1 P00558 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL26913797 1.00 CGAS (0.39) CGASPIM1PGK1NTRK1LRRK2
SCHEMBL26913181 0.81 CGAS (0.39) CGASPIM1LRRK2
SCHEMBL26912287 0.76 CGAS (0.41) CGASPIM1
SCHEMBL30684371 0.75 PIM1 (0.34) CGASPIM1PGK1NTRK1LRRK2
SCHEMBL26913265 0.75 PIM1 (0.34) CGASPIM1PGK1NTRK1LRRK2
SCHEMBL26912304 0.72 FEN1 (0.34) CGASPIM1LRRK2
SCHEMBL26912495 0.70 CGAS (0.33) CGAS
SCHEMBL30684349 0.69 CGAS (0.39) CGASNTRK1
SCHEMBL26913442 0.69 CGAS (0.39) CGASNTRK1
SCHEMBL26912713 0.69 CGAS (0.34) CGASPGK1NTRK1LRRK2

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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