SCHEMBL24504465

SCHEMBL24504465

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)O[C@@H]2[C@H](O)[C@@H](OP(=O)(O)S)C[C@H]2n2cnc3c(=O)n4cc[nH]c4nc32)C[C@H]1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 3/20 0.41
▸ FHIT P49789 3/20 0.41
▸ P2RY1 P47900 3/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ NT5E P21589 1/20 0.39
▸ DNPH1 O43598 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL24504388 0.90 RNASEL (0.42) RNASELFHITP2RY1ADORA1DNPH1
SCHEMBL21362251 0.83 STING1 (0.47) RNASELADORA1
SCHEMBL23619399 0.79 P2RY1 (0.52) RNASELFHITP2RY1ADORA1DNPH1
SCHEMBL23619226 0.79 ADORA1 (0.54) RNASELADORA1NT5E
SCHEMBL24258639 0.78 P2RY1 (0.43) RNASELFHITP2RY1ADORA1DNPH1
SCHEMBL24258563 0.78 FHIT (0.39) RNASELFHITP2RY1ADORA1DNPH1
SCHEMBL21362212 0.77 RNASEL (0.54) RNASEL
SCHEMBL24444137 0.77 POLB (0.42) RNASELFHITP2RY1ADORA1NT5E
SCHEMBL21362248 0.77 STING1 (0.47) RNASELFHITP2RY1ADORA1NT5E
SCHEMBL18937556 0.77 RNASEL (0.60) RNASELP2RY1ADORA1NT5EDNPH1

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-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 — — EP disclosed
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