SCHEMBL29331766

SCHEMBL29331766

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@@](=O)(S)O[C@@H]2C[C@@H](CO[PH](=O)O)O[C@H]2n2c(=O)[nH]c3c(N)ncnc32)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.41
▸ DNPH1 O43598 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ TRPM2 O94759 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ P2RY2 P41231 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL29325781 0.90 DTYMK (0.41) DTYMKDNPH1PRKAB2TRPM2LDHA
SCHEMBL25964517 0.90 P2RY1 (0.49) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL20327545 0.86 FUT5 (0.45) POLB
SCHEMBL23477857 0.83 POLB (0.50) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL23679562 0.83 RNASEL (0.49) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL21896050 0.83 DTYMK (0.47) DTYMKDNPH1PRKAB2TRPM2LDHA
SCHEMBL29331768 0.82 DTYMK (0.44) DTYMKDNPH1PRKAB2TRPM2LDHA
SCHEMBL23477825 0.81 POLB (0.48) POLB
SCHEMBL29323926 0.80 RNASEL (0.58) RNASEL
SCHEMBL23679813 0.79 RNASEL (0.64) RNASEL

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-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
Send feedback