SCHEMBL21789976

SCHEMBL21789976

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1CC

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.84

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
SCHEMBL21789961 0.96 STING1 (0.86) STING1
SCHEMBL22135380 0.94 STING1 (0.82) STING1
SCHEMBL19451494 0.94 STING1 (0.95) STING1
SCHEMBL23637160 0.93 STING1 (0.85) STING1
SCHEMBL28418037 0.92 STING1 (0.91) STING1
SCHEMBL19451810 0.92 STING1 (0.91) STING1
SCHEMBL22150358 0.92 STING1 (0.90) STING1
SCHEMBL19451686 0.92 STING1 (0.90) STING1
SCHEMBL29626029 0.92 STING1 (1.00) STING1
SCHEMBL29526050 0.92 STING1 (1.00) 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-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed