SCHEMBL29325896

SCHEMBL29325896

Nc1ncnc2c1ncn2[C@@H]1OC(CO[P@](=O)(S)O[C@@H]2CC(CO[P@@](=O)(O)S)O[C@H]2n2c(=O)sc3c(N)ncnc32)CC1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 4/20 0.43
▸ 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

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 0.90 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331883 0.90 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29332001 0.90 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29326528 0.90 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331875 0.90 NT5E (0.45) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679530 0.90 POLB (0.44) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29331879 0.87 NT5E (0.49) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679532 0.83 P2RY1 (0.42) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL21895485 0.83 RNASEL (0.46) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL23679618 0.83 NT5E (0.44) 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-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
Send feedback