SCHEMBL23679532

SCHEMBL23679532

C#S[P@](=O)(OC[C@@H]1CC(O)[C@H](n2cnc3c(N)ncnc32)O1)O[C@@H]1CC(COP(=O)(O)S)O[C@H]1n1c(=O)sc2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.42
▸ P2RY2 P41231 3/20 0.42
▸ SRC P12931 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DNPH1 O43598 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42

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
SCHEMBL29332000 0.84 NT5E (0.45) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29331875 0.84 NT5E (0.45) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29331883 0.84 NT5E (0.45) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29326528 0.84 NT5E (0.45) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29332001 0.84 NT5E (0.45) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29325896 0.83 FHIT (0.43) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL23679530 0.82 POLB (0.44) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL21895485 0.82 RNASEL (0.46) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL20763149 0.82 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22351931 0.82 P2RY1 (0.59) 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-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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