SCHEMBL22922871

SCHEMBL22922871

C=CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)O)cc(OCCCOc3cc(C(N)=O)cc4nc(NC(=O)c5cc(C)nn5CC)n(CC)c34)c21

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.78
CYP3A4 P08684 1/20 0.63

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
SCHEMBL19451621 0.95 STING1 (0.85) STING1CYP3A4
SCHEMBL23637099 0.93 STING1 (0.84) STING1CYP3A4
SCHEMBL22151364 0.92 STING1 (0.75) STING1CYP3A4
SCHEMBL19436559 0.92 STING1 (0.83) STING1CYP3A4
SCHEMBL23637235 0.90 STING1 (0.76) STING1CYP3A4
SCHEMBL23637231 0.90 STING1 (0.79) STING1CYP3A4
SCHEMBL23637208 0.90 STING1 (0.78) STING1CYP3A4
SCHEMBL19436557 0.88 STING1 (0.73) STING1CYP3A4
SCHEMBL21790400 0.88 STING1 (0.78) STING1CYP3A4
SCHEMBL19436550 0.88 STING1 (1.00) 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
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 WO disclosed