SCHEMBL27275154

SCHEMBL27275154

Nc1nc2c(ncn2C2CCC(CC[C@@H]3CC(COP(=O)(O)S)OC3n3cnc4c(=O)[nH]c(N)nc43)O2)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ NT5E P21589 1/20 0.49
▸ TGM2 P21980 1/20 0.46
▸ FUT5 Q11128 1/20 0.45
▸ P2RY2 P41231 1/20 0.45
▸ P2RY4 P51582 1/20 0.45
▸ P2RY6 Q15077 1/20 0.45
▸ KRAS P01116 10/20 0.44
▸ HPRT1 P00492 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PNP P00491 1/20 0.42
▸ HINT1 P49773 1/20 0.42

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
SCHEMBL23679527 0.89 POLB (0.56) POLBNT5ETGM2FUT5P2RY2
SCHEMBL21417333 0.89 POLB (0.56) POLBNT5ETGM2FUT5P2RY2
SCHEMBL16221582 0.89 POLB (0.56) POLBNT5ETGM2FUT5P2RY2
SCHEMBL21896070 0.89 POLB (0.56) POLBNT5ETGM2FUT5P2RY2
SCHEMBL16221580 0.89 POLB (0.56) POLBNT5ETGM2FUT5P2RY2
SCHEMBL27275043 0.89 POLB (0.47) POLBNT5ETGM2FUT5P2RY2
SCHEMBL22352197 0.83 NT5E (0.58) POLBNT5ETGM2FUT5P2RY2
SCHEMBL23679806 0.83 NT5E (0.55) POLBNT5ETGM2FUT5P2RY2
SCHEMBL20758514 0.82 POLB (0.59) POLBNT5ETGM2FUT5P2RY2
SCHEMBL18837841 0.82 POLB (0.59) POLBNT5ETGM2FUT5P2RY2

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
EP-3344644-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-06-26 — — EP disclosed
Send feedback