SCHEMBL22121463

SCHEMBL22121463

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)O)ccc2n1C/C=C/Cn1c(N)nc2cc(C(N)=O)cc(OCCO)c21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.69
▸ CYP3A4 P08684 1/20 0.59
▸ TBK1 Q9UHD2 1/20 0.56

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
SCHEMBL22121468 1.00 STING1 (0.69) STING1CYP3A4TBK1
SCHEMBL23227988 0.93 STING1 (0.78) STING1CYP3A4TBK1
SCHEMBL19451711 0.93 STING1 (0.78) STING1CYP3A4TBK1
SCHEMBL20066424 0.91 STING1 (0.69) STING1CYP3A4TBK1
SCHEMBL22150065 0.91 STING1 (0.76) STING1CYP3A4TBK1
SCHEMBL19451513 0.91 STING1 (0.80) STING1CYP3A4TBK1
SCHEMBL24467537 0.90 STING1 (0.74) STING1CYP3A4TBK1
SCHEMBL22121530 0.90 STING1 (0.72) STING1
SCHEMBL22121537 0.90 STING1 (0.72) STING1
SCHEMBL19451509 0.89 STING1 (0.84) STING1CYP3A4TBK1

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
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