SCHEMBL23679596

SCHEMBL23679596

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 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 2/20 0.49
▸ P2RY4 P51582 1/20 0.49
▸ P2RY6 Q15077 1/20 0.49
▸ RNASEL Q05823 7/20 0.48
▸ POLB P06746 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ DNPH1 O43598 1/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ TRPM2 O94759 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46

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
SCHEMBL23679597 0.87 POLB (0.47) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL29323926 0.84 RNASEL (0.58) RNASEL
SCHEMBL20324735 0.83 RNASEL (0.62) P2RY2RNASELDNPH1PRKAB2TRPM2
SCHEMBL29330554 0.82 RNASEL (0.48) P2RY2P2RY4P2RY6RNASELNT5E
SCHEMBL23679813 0.80 RNASEL (0.64) RNASEL
SCHEMBL30084833 0.79 RNASEL (0.76) P2RY2RNASELDNPH1PRKAB2TRPM2
SCHEMBL9951563 0.79 RNASEL (0.76) P2RY2RNASELDNPH1PRKAB2TRPM2
SCHEMBL23061368 0.78 TAS1R3 (0.54) P2RY2RNASELNT5EDNPH1PRKAB2
SCHEMBL22352118 0.78 TAS1R3 (0.54) P2RY2RNASELNT5EDNPH1PRKAB2
SCHEMBL20325272 0.78 RNASEL (0.64) P2RY2RNASELDNPH1PRKAB2TRPM2

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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