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SCHEMBL22150362

SCHEMBL22150362

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(C)c2n1C/C=C/Cn1c(NC(=O)c2ccccc2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.68
▸ TBK1 Q9UHD2 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
SCHEMBL28597016 0.95 STING1 (0.71) STING1TBK1
SCHEMBL19451659 0.95 STING1 (0.71) STING1TBK1
SCHEMBL22134997 0.91 STING1 (0.67) STING1TBK1
SCHEMBL22150302 0.91 STING1 (0.63) STING1TBK1
SCHEMBL19451795 0.89 STING1 (0.76) STING1TBK1
SCHEMBL29702127 0.89 STING1 (0.76) STING1TBK1
SCHEMBL19451632 0.89 STING1 (0.81) STING1TBK1
SCHEMBL29702138 0.89 STING1 (0.81) STING1TBK1
SCHEMBL19451688 0.88 STING1 (0.70) STING1TBK1
SCHEMBL28613424 0.88 STING1 (0.70) STING1TBK1

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed