SCHEMBL30102620

SCHEMBL30102620

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCOP(=O)(O)O)c21

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.84
CYP3A4 P08684 1/20 0.75
ENPP1 P22413 1/20 0.65

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
SCHEMBL27207715 1.00 STING1 (0.84) STING1CYP3A4ENPP1
SCHEMBL30102619 1.00 STING1 (0.84) STING1CYP3A4ENPP1
SCHEMBL20066385 1.00 STING1 (0.84) STING1CYP3A4ENPP1
SCHEMBL24467473 0.93 STING1 (0.90) STING1CYP3A4
SCHEMBL25073987 0.93 STING1 (0.78) STING1ENPP1
SCHEMBL20886134 0.92 STING1 (0.90) STING1CYP3A4
SCHEMBL23327842 0.91 STING1 (1.00) STING1CYP3A4
SCHEMBL30206875 0.91 STING1 (1.00) STING1CYP3A4
SCHEMBL29626047 0.91 STING1 (1.00) STING1CYP3A4
SCHEMBL28614917 0.91 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346894-A1 ADJUVANTS GlaxoSmithKline Biologicals S.A. (BE) 2024-04-10 EP disclosed
WO-2022248353-A1 ADJUVANTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-12-01 WO disclosed