SCHEMBL22121383

SCHEMBL22121383

CCn1nc(C)cc1Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(Nc2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 14/20 0.66
▸ TBK1 Q9UHD2 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.51
▸ EHMT2 Q96KQ7 1/20 0.49
▸ ITK Q08881 1/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ PTGER4 P35408 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44

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
SCHEMBL22119062 0.92 STING1 (0.69) STING1TBK1KMT2AJAK2JAK1
SCHEMBL22121551 0.91 STING1 (0.68) STING1TBK1EHMT2KMT2AJAK2
SCHEMBL22121188 0.90 STING1 (0.54) STING1TBK1KDM4EKMT2APTGER4
SCHEMBL22121578 0.89 STING1 (0.69) STING1TBK1KMT2AJAK2JAK1
SCHEMBL22121136 0.87 STING1 (0.67) STING1TBK1KMT2AJAK2JAK1
SCHEMBL22121286 0.87 STING1 (0.50) STING1TBK1KDM4EKMT2APTGER4
Hydrochloric Acid SCHEMBL22121564 0.86 STING1 (0.66) STING1TBK1KMT2AJAK2JAK1
SCHEMBL31494201 0.86 STING1 (0.90) STING1TBK1
SCHEMBL19451506 0.86 STING1 (0.90) STING1TBK1
SCHEMBL22118964 0.85 STING1 (0.78) 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
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