SCHEMBL23679528

SCHEMBL23679528

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)S)C(=O)[C@@H]1OP(=O)(S)OCC1CC[C@H](n2c(=O)sc3c(N)ncnc32)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 5/20 0.40
▸ P2RY1 P47900 4/20 0.40
▸ P2RY2 P41231 3/20 0.40
▸ SRC P12931 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DNPH1 O43598 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL23679530 0.85 POLB (0.44) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679788 0.83 POLB (0.35) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29331811 0.82 BCHE (0.37) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331918 0.80 FUT5 (0.43) P2RY2NT5E
SCHEMBL23679618 0.79 NT5E (0.44) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29325896 0.79 FHIT (0.43) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331883 0.78 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331875 0.78 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29326528 0.78 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29332000 0.78 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2

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-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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