SCHEMBL22135087

SCHEMBL22135087

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 19/20 0.71
▸ TBK1 Q9UHD2 1/20 0.71
▸ ENPP1 P22413 1/20 0.49

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
SCHEMBL22150552 0.95 STING1 (0.69) STING1TBK1ENPP1
SCHEMBL22151352 0.94 STING1 (0.77) STING1TBK1
SCHEMBL22135364 0.92 STING1 (0.74) STING1TBK1
SCHEMBL22135365 0.89 STING1 (0.72) STING1TBK1
SCHEMBL22151326 0.89 STING1 (0.69) STING1TBK1
SCHEMBL22121372 0.87 STING1 (0.52) STING1TBK1
SCHEMBL19437661 0.86 STING1 (0.87) STING1TBK1ENPP1
SCHEMBL29702073 0.85 STING1 (0.93) STING1TBK1ENPP1
SCHEMBL19451762 0.85 STING1 (0.93) STING1TBK1ENPP1
SCHEMBL22134990 0.85 STING1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132566-A1 STING PYRAZOLE 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
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