SCHEMBL23637182

SCHEMBL23637182

CCC1COc2cc(C(N)=O)cc3nc(NC(=O)c4cc(C)nn4CC)n1c23

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.58
TBK1 Q9UHD2 1/20 0.52
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
SCHEMBL21753364 1.00 STING1 (0.58) STING1TBK1ENPP1
SCHEMBL21789991 0.95 STING1 (0.58) STING1TBK1ENPP1
SCHEMBL21766326 0.93 STING1 (0.58) STING1TBK1ENPP1
SCHEMBL22109889 0.93 STING1 (0.56) STING1TBK1
SCHEMBL22110044 0.93 STING1 (0.56) STING1TBK1
SCHEMBL22109965 0.93 STING1 (0.56) STING1TBK1
SCHEMBL21766155 0.93 STING1 (0.56) STING1TBK1ENPP1
SCHEMBL22110053 0.93 STING1 (0.56) STING1TBK1ENPP1
SCHEMBL22109894 0.93 STING1 (0.56) STING1TBK1
SCHEMBL23855762 0.92 STING1 (0.54) 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 1 patent. 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