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Sugi Predict / Compounds / SCHEMBL21790079

SCHEMBL21790079

SCHEMBL21790079

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1[C@H](CC[C@H]1CN(C)c2cc(C(N)=O)cc4nc(NC(=O)c5cc(C)nn5CC)n1c24)CN3C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 19/20 0.57
▸ TBK1 Q9UHD2 1/20 0.54
▸ ENPP1 P22413 1/20 0.49

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
SCHEMBL23637108 0.95 STING1 (0.57) STING1TBK1ENPP1
SCHEMBL21766131 0.95 STING1 (0.57) STING1TBK1ENPP1
SCHEMBL21789969 0.94 STING1 (0.60) STING1TBK1
SCHEMBL22109958 0.93 STING1 (0.55) STING1TBK1
SCHEMBL30013680 0.93 STING1 (0.55) STING1TBK1
SCHEMBL30013750 0.93 STING1 (0.55) STING1TBK1
SCHEMBL22109957 0.93 STING1 (0.55) STING1TBK1
SCHEMBL21753411 0.92 STING1 (0.57) STING1TBK1
SCHEMBL21753586 0.92 STING1 (0.56) STING1TBK1
SCHEMBL22109961 0.91 STING1 (0.58) STING1TBK1

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