SCHEMBL21789836

SCHEMBL21789836

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCNC(=O)CN3CCOCC3)c2n1CCC[C@H]1COc2cc(C(N)=O)cc3nc(NC(=O)c4c(Br)c(C)nn4CC)n1c23

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.56

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
SCHEMBL21789652 0.94 STING1 (0.62) STING1
SCHEMBL21789847 0.94 STING1 (0.56) STING1
SCHEMBL21789842 0.94 STING1 (0.56) STING1
SCHEMBL23637213 0.91 STING1 (0.52) STING1
SCHEMBL21789686 0.91 STING1 (0.56) STING1
SCHEMBL21790402 0.90 STING1 (0.56) STING1
SCHEMBL21789962 0.90 STING1 (0.62) STING1
SCHEMBL21790372 0.90 STING1 (0.62) STING1
SCHEMBL23637175 0.90 STING1 (0.58) STING1
SCHEMBL21790093 0.89 STING1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed
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