SCHEMBL20224848

SCHEMBL20224848

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.35
TK1 P04183 3/20 0.35
POLG P54098 1/20 0.34
CASP6 P55212 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
MAPK1 P28482 1/20 0.33
CA5A P35218 1/20 0.33
P2RY1 P47900 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
SCHEMBL20224847 0.93 STING1 (0.33) STING1POLGALDH1A1LMNAALB
SCHEMBL20224989 0.87 STING1 (0.34) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL22990440 0.85 STING1 (0.34) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL22990446 0.84 STING1 (0.34) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL21362217 0.82 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1P2RY1
SCHEMBL20224836 0.82 ALDH1A1 (0.46) TK1POLGALDH1A1LMNAALB
SCHEMBL20224834 0.82 ALDH1A1 (0.46) TK1POLGALDH1A1LMNAALB
SCHEMBL21637022 0.80 DNPH1 (0.43) POLGCASP6P2RY1
SCHEMBL22990583 0.80 DNPH1 (0.43) POLGCASP6P2RY1
SCHEMBL21137427 0.79 DNPH1 (0.51) STING1P2RY1

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