SCHEMBL29324032

SCHEMBL29324032

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)O[C@H]2C[C@H](n3c(=O)[nH]c4c(N)ncnc43)O[C@@H]2COP(=O)(O)S)C[C@H]1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.45
▸ P2RY1 P47900 4/20 0.43
▸ P2RY2 P41231 3/20 0.43
▸ SRC P12931 2/20 0.43
▸ SMN1; SMN2 Q16637 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
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 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
SCHEMBL23679618 0.87 NT5E (0.44) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL21540039 0.86 POLB (0.49) DTYMKPOLB
SCHEMBL23679635 0.86 P2RY1 (0.42) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21896050 0.85 DTYMK (0.47) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331768 0.84 DTYMK (0.44) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679563 0.84 DTYMK (0.46) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23476718 0.82 NT5E (0.55) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL21540024 0.82 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL20327548 0.82 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22524006 0.82 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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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