SCHEMBL29331879

SCHEMBL29331879

CC1[C@@H](F)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[P@](=O)(S)O[C@@H]1C[C@@H](COP(=O)(O)S)O[C@H]1n1c(=O)sc2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.49
▸ P2RY1 P47900 4/20 0.44
▸ P2RY2 P41231 3/20 0.44
▸ SRC P12931 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ DNPH1 O43598 1/20 0.44
▸ PRKAB2 O43741 1/20 0.44
▸ TRPM2 O94759 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ FBP1 P09467 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL21895480 0.92 NT5E (0.44) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679614 0.92 NT5E (0.44) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29332001 0.91 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29326528 0.91 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331883 0.91 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331875 0.91 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29332000 0.91 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29332539 0.89 NT5E (0.48) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21895485 0.88 RNASEL (0.46) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679357 0.88 NT5E (0.45) NT5EP2RY1P2RY2SRCSMN1; 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-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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