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Sugi Predict / Compounds / SCHEMBL22135232

SCHEMBL22135232

SCHEMBL22135232

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)c2n1CCCNC(=O)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.81
▸ IRF3 Q14653 1/20 0.64

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
SCHEMBL22135280 0.92 STING1 (0.89) STING1IRF3
SCHEMBL22135231 0.91 STING1 (0.89) STING1IRF3
SCHEMBL22135012 0.90 STING1 (1.00) STING1IRF3
SCHEMBL22136262 0.87 STING1 (0.62) STING1
SCHEMBL30084053 0.87 STING1 (0.72) STING1
SCHEMBL29209619 0.87 STING1 (0.72) STING1
SCHEMBL25786359 0.87 STING1 (1.00) STING1IRF3
SCHEMBL29240419 0.87 STING1 (0.68) STING1
SCHEMBL30469469 0.87 STING1 (0.68) STING1
SCHEMBL31072707 0.85 STING1 (0.64) STING1

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed