SCHEMBL21789598

SCHEMBL21789598

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN(C)CCOC)c2n1CCC[C@H]1COc2cc(C(N)=O)cc3nc(NC(=O)c4cc(C)nn4CC)n1c23

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.59

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
SCHEMBL21789600 0.94 STING1 (0.61) STING1
SCHEMBL21790016 0.93 STING1 (0.64) STING1
SCHEMBL31010504 0.93 STING1 (0.64) STING1
SCHEMBL31010505 0.93 STING1 (0.64) STING1
SCHEMBL21776718 0.93 STING1 (0.64) STING1
SCHEMBL21789647 0.93 STING1 (0.64) STING1
SCHEMBL21789616 0.93 STING1 (0.56) STING1
SCHEMBL23637180 0.92 STING1 (0.59) STING1
SCHEMBL21789665 0.92 STING1 (0.59) STING1
SCHEMBL21790043 0.92 STING1 (0.61) 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