SCHEMBL20224825

SCHEMBL20224825

Nc1ncnc2c1ncn2[C@H]1CC[C@@](CO)(COP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)O)O[C@H]2n2cc(F)c3c(=O)[nH]cnc32)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 2/20 0.40
▸ RNASEL Q05823 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
▸ P2RY2 P41231 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAS1R3 Q7RTX0 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
SCHEMBL20224913 0.95 DTYMK (0.38) DTYMKRNASEL
SCHEMBL20224826 0.94 DNPH1 (0.39) DTYMKRNASELDNPH1PRKAB2TRPM2
SCHEMBL20224911 0.89 RNASEL (0.55) RNASEL
SCHEMBL22990366 0.87 RNASEL (0.45) DTYMKRNASEL
SCHEMBL20224880 0.87 DTYMK (0.38) DTYMKRNASEL
SCHEMBL20225032 0.81 DTYMK (0.43) DTYMKRNASEL
SCHEMBL22990422 0.80 RNASEL (0.43) DTYMKRNASELSRCP2RY2P2RY1
SCHEMBL21539917 0.78 ALDH1A1 (0.51) DTYMKRNASELDNPH1PRKAB2TRPM2
SCHEMBL21540016 0.78 ALDH1A1 (0.51) DTYMKRNASELDNPH1PRKAB2TRPM2
SCHEMBL22990611 0.78 DTYMK (0.34) DTYMKP2RY2P2RY1P2RY11

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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