SCHEMBL24258562

SCHEMBL24258562

COC[C@H]1C[C@@H](c2ccnc(C(N)=O)c2)[C@@H]1COP(=O)(S)OC[C@@H]1C[C@H](F)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.42
▸ IMPDH2 P12268 10/20 0.41
▸ ADH1A P07327 1/20 0.41
▸ IMPDH1 P20839 5/20 0.40
▸ FHIT P49789 2/20 0.40
▸ NADK O95544 2/20 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
SCHEMBL24444131 0.92 ADH1A (0.43) BCHEIMPDH2ADH1AIMPDH1NADK
SCHEMBL24258564 0.89 IMPDH2 (0.46) IMPDH2ADH1AIMPDH1FHITNADK
SCHEMBL21263919 0.87 FHIT (0.41) BCHEIMPDH2ADH1AIMPDH1FHIT
SCHEMBL21263869 0.81 AHCY (0.43) IMPDH2ADH1AIMPDH1FHITNADK
SCHEMBL22571145 0.79 BCHE (0.53) BCHEFHIT
SCHEMBL24258561 0.79 BCHE (0.42) BCHEFHIT
SCHEMBL24258672 0.76 TAS1R3 (0.41) IMPDH2ADH1AIMPDH1NADK
SCHEMBL22524142 0.76 BCHE (0.55) BCHE
SCHEMBL22524006 0.76 P2RY1 (0.56) BCHE
SCHEMBL21540024 0.76 P2RY1 (0.56) BCHE

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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