SCHEMBL21620380

SCHEMBL21620380

NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/CNC(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.39
▸ FAAH O00519 5/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ STING1 Q86WV6 4/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ MAPKAPK2 P49137 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33

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
SCHEMBL21616424 0.88 STING1 (0.41) STING1ADORA2AMAPKAPK2HDAC1
SCHEMBL21616395 0.83 STING1 (0.47) STING1ADORA2A
SCHEMBL21620360 0.82 STING1 (0.42) STING1ADORA2A
Bromide SCHEMBL21616426 0.81 STING1 (0.41) STING1ADORA2A
SCHEMBL21620379 0.79 STING1 (0.64) STING1
SCHEMBL21620363 0.79 STING1 (0.39) STING1ADORA2A
SCHEMBL21630047 0.73 KDM4E (0.41) STING1ADORA2A
SCHEMBL29689171 0.72 STING1 (0.42) STING1ADORA2A
SCHEMBL28752005 0.72 STING1 (0.42) STING1ADORA2A
SCHEMBL28752004 0.72 STING1 (0.42) 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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