SCHEMBL22121390

SCHEMBL22121390

COc1cc(C(N)=O)cc2nc(N)n(C/C=C/Cn3c(N)nc4cc(C(N)=O)cc(OCCO)c43)c12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.57
▸ 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
SCHEMBL22121384 0.95 STING1 (0.63) STING1CYP3A4
SCHEMBL28941702 0.95 STING1 (0.63) STING1CYP3A4
SCHEMBL22121334 0.91 STING1 (0.50) STING1CYP3A4
SCHEMBL30206919 0.89 STING1 (0.47) STING1CYP3A4
SCHEMBL22121483 0.89 STING1 (0.51) STING1CYP3A4
SCHEMBL30823045 0.88 STING1 (0.56) STING1CYP3A4
SCHEMBL29868591 0.87 STING1 (0.49) STING1CYP3A4
SCHEMBL29868209 0.87 STING1 (0.49) STING1CYP3A4
SCHEMBL23077447 0.86 STING1 (0.48) STING1CYP3A4
SCHEMBL23077450 0.86 STING1 (0.48) 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
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
Send feedback