SCHEMBL30684099

SCHEMBL30684099

OC1CCC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.37
▸ ROCK2 O75116 6/20 0.33
▸ ROCK1 Q13464 5/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ CHUK O15111 2/20 0.31
▸ SGK1 O00141 1/20 0.31
▸ CDC42BPB Q9Y5S2 2/20 0.31
▸ GRM2 Q14416 1/20 0.31

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
SCHEMBL26912152 1.00 CGAS (0.37) CGASROCK2ROCK1PIK3CALRRK2
SCHEMBL26912204 1.00 CGAS (0.37) CGASROCK2ROCK1PIK3CALRRK2
SCHEMBL26912151 1.00 CGAS (0.37) CGASROCK2ROCK1PIK3CALRRK2
SCHEMBL30684264 0.94 CGAS (0.36) CGASROCK2ROCK1PIK3CALRRK2
SCHEMBL26912218 0.94 CGAS (0.36) CGASROCK2ROCK1PIK3CALRRK2
SCHEMBL26912225 0.94 CGAS (0.36) CGASROCK2ROCK1PIK3CALRRK2
SCHEMBL26912468 0.85 CGAS (0.34) CGASROCK2ROCK1LRRK2CDC42BPB
SCHEMBL26912472 0.85 CGAS (0.34) CGASROCK2ROCK1LRRK2CDC42BPB
SCHEMBL26912777 0.84 CGAS (0.35) CGASROCK2ROCK1CDC42BPB
SCHEMBL26913188 0.84 LRRK2 (0.35) CGASROCK2ROCK1LRRK2CDC42BPB

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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