SCHEMBL30684137

SCHEMBL30684137

OC1CCC(Nc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.36
▸ CDC7 O00311 2/20 0.33
▸ DAPK3 O43293 2/20 0.33
▸ PRKD3 O94806 2/20 0.33
▸ PAK4 O96013 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CDK8 P49336 2/20 0.33
▸ CLK2 P49760 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ PRKX P51817 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ MAP4K2 Q12851 2/20 0.33
▸ STK3 Q13188 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ MELK Q14680 2/20 0.33

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
SCHEMBL26912963 1.00 CGAS (0.36) CGASCDC7DAPK3PRKD3PAK4
SCHEMBL26912165 1.00 CGAS (0.36) CGASCDC7DAPK3PRKD3PAK4
SCHEMBL26912169 1.00 CGAS (0.36) CGASCDC7DAPK3PRKD3PAK4
SCHEMBL26912514 0.93 CGAS (0.36) CGASJAK2JAK1ROCK2ROCK1
SCHEMBL26913132 0.93 CGAS (0.36) CGASJAK2JAK1ROCK2ROCK1
SCHEMBL26913152 0.84 ROCK2 (0.34) CGASCDK2CDK9JAK2JAK1
SCHEMBL26913150 0.84 ROCK2 (0.34) CGASCDK2CDK9JAK2JAK1
SCHEMBL26912028 0.83 LRRK2 (0.37) CGASJAK3JAK2JAK1AKT1
SCHEMBL30684099 0.81 CGAS (0.37) CGASPIK3CAROCK2ROCK1CDC42BPB
SCHEMBL26912152 0.81 CGAS (0.37) CGASPIK3CAROCK2ROCK1CDC42BPB

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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