SCHEMBL24258564

SCHEMBL24258564

COC[C@H]1C[C@@H](c2ccnc(C(N)=O)c2)[C@@H]1COP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 10/20 0.46
▸ NT5E P21589 1/20 0.45
▸ ADH1A P07327 1/20 0.44
▸ FHIT P49789 4/20 0.43
▸ IMPDH1 P20839 5/20 0.43
▸ NADK O95544 2/20 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
SCHEMBL24258562 0.89 BCHE (0.42) IMPDH2ADH1AFHITIMPDH1NADK
SCHEMBL24444131 0.82 ADH1A (0.43) IMPDH2ADH1AIMPDH1NADK
SCHEMBL21264014 0.80 IMPDH2 (0.54) IMPDH2NT5EADH1AFHITIMPDH1
SCHEMBL21263869 0.79 AHCY (0.43) IMPDH2ADH1AFHITIMPDH1NADK
SCHEMBL24444141 0.79 IMPDH2 (0.46) IMPDH2NT5EADH1AFHITIMPDH1
SCHEMBL21263989 0.78 NT5E (0.54) IMPDH2NT5E
SCHEMBL21263919 0.76 FHIT (0.41) IMPDH2ADH1AFHITIMPDH1NADK
SCHEMBL29332501 0.76 NT5E (0.65) NT5E
SCHEMBL24722228 0.74 NT5E (0.57) NT5EFHIT
SCHEMBL21362281 0.73 NT5E (0.55) NT5EFHIT

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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