SCHEMBL23679650

SCHEMBL23679650

Nc1nc2c(ncn2[C@H]2CCC(COP(=O)(S)O[C@H]3C[C@H](n4cnc5ccccc5c4=O)O[C@@H]3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ P2RY2 P41231 1/20 0.44
▸ P2RY4 P51582 1/20 0.44
▸ P2RY6 Q15077 1/20 0.44
▸ F2 P00734 2/20 0.42
▸ FUT5 Q11128 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ P2RY1 P47900 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ TERT O14746 1/20 0.39
▸ KRAS P01116 3/20 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
SCHEMBL23679601 0.93 POLB (0.47) POLBP2RY2P2RY4P2RY6F2
SCHEMBL29332814 0.92 POLB (0.47) POLBP2RY2P2RY4P2RY6F2
SCHEMBL16221825 0.91 POLB (0.56) POLBP2RY2P2RY4P2RY6F2
SCHEMBL23679598 0.86 POLB (0.46) POLBP2RY2P2RY4P2RY6F2
SCHEMBL20326935 0.86 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL22434567 0.86 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL16221597 0.86 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL20324708 0.85 POLB (0.48) POLBP2RY2P2RY4P2RY6F2
SCHEMBL20327045 0.85 POLB (0.48) POLBP2RY2P2RY4P2RY6F2
SCHEMBL29328122 0.85 POLB (0.45) POLBP2RY2P2RY4P2RY6F2

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-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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