SCHEMBL21133335

SCHEMBL21133335

Nc1ncnc2c1NCN2C1C[C@H](OP(=O)(S)OCC2OC(n3cnc4c(N)ncnc43)CC2F)C(COP(=O)(O)O)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ P2RY1 P47900 2/20 0.46
▸ 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
▸ P2RY2 P41231 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
▸ PDE3A Q14432 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 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
SCHEMBL21132940 0.90 POLB (0.40) POLBP2RY1ENPP1
SCHEMBL21133201 0.87 POLB (0.47) POLBP2RY1P2RY2TAS1R3TAS1R1
SCHEMBL21132983 0.86 HPRT1 (0.48) POLBP2RY1DNPH1PRKAB2TRPM2
SCHEMBL21133134 0.86 HPRT1 (0.52) POLBP2RY1
SCHEMBL22930774 0.84 POLB (0.52) POLBP2RY1DNPH1PRKAB2TRPM2
SCHEMBL18822610 0.83 POLB (0.53) POLBP2RY1DNPH1PRKAB2TRPM2
SCHEMBL21133333 0.83 RNASEL (0.58) POLBP2RY1DNPH1PRKAB2TRPM2
SCHEMBL8616900 0.82 P2RY1 (0.66) POLBP2RY1DNPH1PRKAB2TRPM2
SCHEMBL21132966 0.82 POLB (0.40) POLBP2RY1DNPH1PRKAB2TRPM2
SCHEMBL21133327 0.82 POLB (0.49) POLBP2RY1DNPH1PRKAB2TRPM2

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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