SCHEMBL29325801

SCHEMBL29325801

CC1[C@@H](O[P@](=O)(S)OC[C@@H]2CC(C=O)[C@H](n3cnc4c(N)ncnc43)O2)[C@H](n2c(=O)[nH]c3c(N)ncnc32)O[C@@H]1CO[P@@](=O)(O)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 3/20 0.44
▸ DTYMK P23919 2/20 0.43
▸ P2RY1 P47900 3/20 0.43
▸ SRC P12931 2/20 0.43
▸ P2RY2 P41231 2/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL29331768 0.85 DTYMK (0.44) FHITDTYMKP2RY1SRCP2RY2
SCHEMBL23679635 0.84 P2RY1 (0.42) FHITDTYMKP2RY1SRCP2RY2
SCHEMBL21896050 0.83 DTYMK (0.47) FHITDTYMKP2RY1SRCP2RY2
SCHEMBL23679562 0.81 RNASEL (0.49) FHITP2RY1SRCP2RY2DNPH1
SCHEMBL29323932 0.81 DTYMK (0.55) DTYMKP2RY1SRCP2RY2DNPH1
SCHEMBL29330468 0.81 DTYMK (0.55) DTYMKP2RY1SRCP2RY2DNPH1
SCHEMBL29325792 0.81 RNASEL (0.48) FHITP2RY1SRCP2RY2DNPH1
SCHEMBL29324032 0.80 DTYMK (0.45) FHITDTYMKP2RY1SRCP2RY2
SCHEMBL21895485 0.79 RNASEL (0.46) FHITP2RY1SRCP2RY2DNPH1
SCHEMBL23679563 0.78 DTYMK (0.46) DTYMKP2RY1SRCP2RY2DNPH1

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
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