SCHEMBL23679554

SCHEMBL23679554

Nc1ccc2ncn([C@H]3CC[C@@H](COP(=O)(O)OC4C[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)O3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.47
▸ P2RY2 P41231 1/20 0.43
▸ P2RY4 P51582 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ F2 P00734 2/20 0.41
▸ NT5E P21589 1/20 0.41
▸ KRAS P01116 5/20 0.39
▸ IMPDH2 P12268 4/20 0.39
▸ IMPDH1 P20839 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
SCHEMBL23679647 0.89 FUT5 (0.47) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL20327589 0.85 FUT5 (0.50) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL23679601 0.83 POLB (0.47) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL20327591 0.83 FUT5 (0.47) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL29324484 0.82 TAS1R3 (0.53) FUT5P2RY2P2RY4P2RY6TAS1R3
SCHEMBL20782763 0.81 POLB (0.58) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL22381883 0.81 FUT5 (0.53) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL20327581 0.80 FUT5 (0.48) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL23679395 0.80 POLB (0.49) FUT5P2RY2P2RY4P2RY6POLB
SCHEMBL21417495 0.79 POLB (0.59) FUT5P2RY2P2RY4P2RY6POLB

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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