SCHEMBL23679597

SCHEMBL23679597

Nc1nc2c(ncn2[C@H]2CC[C@@H](OP(=O)(O)O[C@H]3C(=O)[C@H](n4c(=O)[nH]c5c(N)ncnc54)O[C@@H]3COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ P2RY2 P41231 2/20 0.44
▸ P2RY4 P51582 1/20 0.44
▸ P2RY6 Q15077 1/20 0.44
▸ NT5E P21589 1/20 0.41
▸ TGM2 P21980 1/20 0.40
▸ FUT5 Q11128 1/20 0.40
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ DNPH1 O43598 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39

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
SCHEMBL23679596 0.87 P2RY2 (0.49) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL29330657 0.78 POLB (0.51) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL29330554 0.74 RNASEL (0.48) P2RY2P2RY4P2RY6NT5ETGM2
SCHEMBL10484370 0.74 POLB (0.72) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL24276631 0.74 POLB (0.54) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL24276647 0.74 POLB (0.54) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL21540009 0.73 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20782764 0.73 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20325223 0.73 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20324868 0.73 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5

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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