SCHEMBL21133201

SCHEMBL21133201

Nc1nc2c(ncn2C2CC(F)[C@@H](COP(=O)(S)O[C@H]3CC(N4CNc5c(N)ncnc54)OC3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ TERT O14746 1/20 0.42
▸ P2RY2 P41231 1/20 0.42
▸ P2RY4 P51582 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ FUT5 Q11128 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ STING1 Q86WV6 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ F2 P00734 1/20 0.38

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
SCHEMBL21132940 0.91 POLB (0.40) POLBP2RY1STING1
SCHEMBL20326933 0.89 POLB (0.52) POLBTERTP2RY2P2RY4P2RY6
SCHEMBL21133335 0.87 POLB (0.47) POLBP2RY2P2RY1TAS1R3TAS1R1
SCHEMBL20324893 0.85 POLB (0.49) POLBTERTP2RY2P2RY4P2RY6
SCHEMBL21540039 0.84 POLB (0.49) POLBTERTSTING1F2
SCHEMBL20325346 0.83 POLB (0.64) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20325348 0.83 POLB (0.64) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20325289 0.82 POLB (0.45) POLBTERTP2RY1STING1
SCHEMBL20324900 0.82 POLB (0.49) POLBTERTP2RY2P2RY4P2RY6
SCHEMBL20326982 0.82 POLB (0.49) POLBTERTP2RY2P2RY4P2RY6

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-3505527-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 — — EP disclosed
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