SCHEMBL20224847

SCHEMBL20224847

Cn1cnc2c(c(F)cn2[C@H]2CC[C@@H](COP(=O)(O)S)O2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
MAPK1 P28482 1/20 0.32
POLG P54098 1/20 0.32

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
SCHEMBL20224848 0.93 STING1 (0.35) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL20224989 0.85 STING1 (0.34) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL22990446 0.84 STING1 (0.34) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL22990440 0.84 STING1 (0.34) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL20224845 0.84 TYMS (0.42)
SCHEMBL21362282 0.83 ALDH1A1 (0.44) ALDH1A1LMNAALBMAPK1
SCHEMBL20224899 0.82 ALDH1A1 (0.45) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL20224907 0.82 ALDH1A1 (0.45) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL20224887 0.75 TYMS (0.42)
SCHEMBL20224901 0.75 ALDH1A1 (0.45) ALDH1A1LMNAALBMAPK1POLG

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
EP-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 EP disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 WO disclosed