SCHEMBL23629567

SCHEMBL23629567

CCn1nc(C)cc1C(=O)Nc1nc2c(OCCCNC(=O)C[C@@H]3COCCN3)cc(C(N)=O)cc2n1CCC[C@H]1COc2cc(C(N)=O)cc3nc(NC(=O)c4cc(C)nn4CC)n1c23

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.49
CYP3A4 P08684 1/20 0.46

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
SCHEMBL23629570 1.00 STING1 (0.49) STING1CYP3A4
SCHEMBL21789930 0.94 STING1 (0.54) STING1CYP3A4
SCHEMBL21789955 0.94 STING1 (0.54) STING1CYP3A4
SCHEMBL23629568 0.92 STING1 (0.51) STING1CYP3A4
SCHEMBL23629565 0.89 STING1 (0.52) STING1CYP3A4
SCHEMBL21790404 0.89 STING1 (0.50) STING1CYP3A4
SCHEMBL21789928 0.86 STING1 (0.55) STING1CYP3A4
SCHEMBL21789931 0.85 STING1 (0.57) STING1CYP3A4
SCHEMBL21789614 0.85 STING1 (0.57) STING1CYP3A4
SCHEMBL21789628 0.84 STING1 (0.61) STING1CYP3A4

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