SCHEMBL23637140

SCHEMBL23637140

CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C=O)cc(OCCCNC(=O)CN3CCN(C)CC3)c21

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.59
CYP3A4 P08684 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
SCHEMBL23637227 0.93 STING1 (0.68) STING1
SCHEMBL21790419 0.89 STING1 (0.73) STING1CYP3A4
SCHEMBL23637166 0.88 STING1 (0.64) STING1CYP3A4
SCHEMBL23637143 0.88 STING1 (0.60) STING1CYP3A4
SCHEMBL21790370 0.84 STING1 (0.74) STING1CYP3A4
SCHEMBL23637098 0.84 STING1 (0.69) STING1CYP3A4
SCHEMBL21789959 0.84 STING1 (0.73) STING1CYP3A4
SCHEMBL21789667 0.83 STING1 (0.71) STING1CYP3A4
SCHEMBL21789960 0.83 STING1 (0.79) STING1
SCHEMBL21789722 0.82 STING1 (0.70) 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