SCHEMBL21620363

SCHEMBL21620363

NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/CNC=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.39
▸ ADORA2A P29274 1/20 0.35
▸ HPGDS O60760 1/20 0.30

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
SCHEMBL21620360 0.89 STING1 (0.42) STING1ADORA2AHPGDS
Bromide SCHEMBL21616426 0.88 STING1 (0.41) STING1ADORA2AHPGDS
SCHEMBL27207460 0.87 STING1 (0.41) STING1ADORA2A
SCHEMBL27204002 0.87 STING1 (0.41) STING1ADORA2A
SCHEMBL21616395 0.81 STING1 (0.47) STING1ADORA2A
SCHEMBL28752005 0.79 STING1 (0.42) STING1ADORA2A
SCHEMBL29689171 0.79 STING1 (0.42) STING1ADORA2A
SCHEMBL28752004 0.79 STING1 (0.42) STING1ADORA2A
SCHEMBL21620380 0.79 DRD3 (0.39) STING1ADORA2A
SCHEMBL21616424 0.78 STING1 (0.41) STING1ADORA2A

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-2020010451-A1 HETEROAROMATIC-FUSED IMIDAZOLYL AMIDES, COMPOSITIONS AND USES THEREOF AS STING AGONISTS TRILLIUM THERAPEUTICS INC. (CA) 2020-01-16 — — WO disclosed
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