SCHEMBL30684332

SCHEMBL30684332

COCCN1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c32)C1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.33
▸ ROCK2 O75116 5/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ EZH2 Q15910 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
SCHEMBL26912783 1.00 PDE4A (0.33) PDE4AROCK2ROCK1EZH2
SCHEMBL26912609 0.91 EZH2 (0.32) ROCK2ROCK1EZH2
SCHEMBL30684427 0.91 EZH2 (0.32) ROCK2ROCK1EZH2
Hydrochloric Acid SCHEMBL26913319 0.81 PDE4A (0.37) PDE4AROCK2EZH2
SCHEMBL30684343 0.78 EZH2 (0.34) EZH2
SCHEMBL26913942 0.78 EZH2 (0.34) EZH2
SCHEMBL26912868 0.77 CREBBP (0.34) —
Hydrochloric Acid SCHEMBL30684438 0.75 PDE4A (0.40) PDE4AROCK2EZH2
SCHEMBL30684229 0.75 CGAS (0.44) ROCK2ROCK1
SCHEMBL26912473 0.75 CGAS (0.44) ROCK2ROCK1

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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