SCHEMBL24258615

SCHEMBL24258615

Nc1ncnc2c1ncn2[C@@H]1C[C@H](COP(=O)(O)S)[C@H]1CO[P@@](=O)(S)OC[C@@H]1CC[C@H](n2cnc3c(=O)n4ccnc4[nH]c32)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 1/20 0.38
▸ FHIT P49789 5/20 0.36
▸ POLB P06746 1/20 0.36
▸ DTYMK P23919 2/20 0.35
▸ DNPH1 O43598 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ TRPM2 O94759 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL24258670 0.90 RNASEL (0.36) RNASELFHITPOLBDTYMKDNPH1
SCHEMBL24258614 0.90 POLB (0.49) RNASELFHITPOLBDTYMKDNPH1
SCHEMBL24258604 0.89 POLB (0.41) RNASELFHITPOLBDTYMKDNPH1
SCHEMBL24258666 0.89 POLB (0.37) RNASELFHITPOLBDTYMKP2RY1
SCHEMBL24258678 0.88 RNASEL (0.39) RNASELPOLBDTYMKSRCP2RY2
SCHEMBL21263871 0.86 POLB (0.49) RNASELFHITPOLBDTYMKDNPH1
SCHEMBL21263943 0.86 FHIT (0.45) FHITDTYMKDNPH1PRKAB2TRPM2
SCHEMBL24258636 0.85 RNASEL (0.42) RNASELPOLBDTYMKDNPH1PRKAB2
SCHEMBL21263944 0.85 FHIT (0.40) FHITDTYMKDNPH1PRKAB2TRPM2
SCHEMBL24258606 0.84 POLB (0.42) RNASELFHITPOLBP2RY1TAS1R3

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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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