SCHEMBL20225033

SCHEMBL20225033

Nc1ncnc2c1ncn2[C@H]1CCC(COP(O)(O)=S)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.51
▸ ADA P00813 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ENPP1 P22413 3/20 0.49
▸ P2RY1 P47900 5/20 0.49
▸ P2RY2 P41231 3/20 0.49
▸ SRC P12931 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ P2RY11 Q96G91 2/20 0.49
▸ DNPH1 O43598 1/20 0.49
▸ PRKAB2 O43741 1/20 0.49
▸ TRPM2 O94759 1/20 0.49
▸ LDHA P00338 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ FBP1 P09467 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA2 P54646 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL6915658 1.00 BCHE (0.51) BCHEADAPOLBENPP1P2RY1
SCHEMBL22990586 1.00 BCHE (0.51) BCHEADAPOLBENPP1P2RY1
SCHEMBL20691945 0.90 BCHE (0.50) BCHEADAPOLBENPP1P2RY1
SCHEMBL20691455 0.90 BCHE (0.50) BCHEADAPOLBENPP1P2RY1
SCHEMBL20663978 0.89 BCHE (0.51) BCHEADAPOLBENPP1P2RY1
SCHEMBL20224908 0.89 BCHE (0.51) BCHEADAPOLBENPP1P2RY1
SCHEMBL18837728 0.89 P2RY1 (0.62) POLBENPP1P2RY1P2RY2SRC
SCHEMBL22842814 0.89 BCHE (0.51) BCHEADAPOLBENPP1P2RY1
SCHEMBL20959779 0.89 P2RY1 (0.62) POLBENPP1P2RY1P2RY2SRC
SCHEMBL20225051 0.89 P2RY1 (0.62) POLBENPP1P2RY1P2RY2SRC

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
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — WO disclosed
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