SCHEMBL30684348

SCHEMBL30684348

CC(=O)N[C@H]1CCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.33
▸ ROCK2 O75116 12/20 0.33
▸ MELK Q14680 1/20 0.32
▸ EZH2 Q15910 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ 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
SCHEMBL30684406 1.00 CGAS (0.33) CGASROCK2MELKEZH2ROCK1
SCHEMBL26912994 1.00 CGAS (0.33) CGASROCK2MELKEZH2ROCK1
SCHEMBL26912604 1.00 CGAS (0.33) CGASROCK2MELKEZH2ROCK1
SCHEMBL26912229 0.95 ROCK2 (0.33) CGASROCK2MELKEZH2ROCK1
SCHEMBL26913846 0.91 CGAS (0.33) CGASROCK2JAK1
SCHEMBL30684385 0.91 CGAS (0.33) CGASROCK2JAK1
SCHEMBL30684398 0.90 ROCK2 (0.36) ROCK2MELKROCK1
SCHEMBL26913077 0.90 ROCK2 (0.36) ROCK2MELKROCK1
SCHEMBL30684258 0.90 ROCK2 (0.36) ROCK2MELKROCK1
SCHEMBL26912901 0.90 ROCK2 (0.36) ROCK2MELKROCK1

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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