SCHEMBL30684344

SCHEMBL30684344

CN1CCn2c(c(-c3cn[nH]c3)c3c(OCCCO)cc(Cl)c(Cl)c32)C1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 3/20 0.36
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ EZH2 Q15910 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ BUB1 O43683 1/20 0.30
▸ CDC42BPA Q5VT25 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
SCHEMBL26913300 1.00 CGAS (0.36) CGASROCK2ROCK1EZH2GRM2
SCHEMBL30684437 0.86 CGAS (0.36) CGASEZH2GRM2
SCHEMBL26912898 0.86 CGAS (0.36) CGASEZH2GRM2
SCHEMBL26913043 0.82 CGAS (0.33) CGASROCK2ROCK1EZH2GRM2
SCHEMBL30684317 0.82 CGAS (0.33) CGASROCK2ROCK1EZH2GRM2
SCHEMBL26912442 0.80 CGAS (0.33) CGASEZH2
SCHEMBL30684432 0.80 CGAS (0.33) CGASEZH2
Hydrochloric Acid SCHEMBL26913814 0.79 GRM2 (0.34) CGASEZH2GRM2PDE4A
Hydrochloric Acid SCHEMBL30684428 0.79 GRM2 (0.34) CGASEZH2GRM2PDE4A
SCHEMBL30684384 0.77 EZH2 (0.35) EZH2GRM2

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
Send feedback