SCHEMBL24181536

SCHEMBL24181536

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](/C=C/P(O)O)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 5/20 0.52
▸ PI4K2B Q8TCG2 5/20 0.52
▸ PI4K2A Q9BTU6 5/20 0.52
▸ PI4KB Q9UBF8 5/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52
▸ ADORA2A P29274 5/20 0.50
▸ ADA P00813 1/20 0.50
▸ ADORA3 P0DMS8 3/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ ADORA2B P29275 2/20 0.48

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
SCHEMBL7162148 0.84 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL24181513 0.82 ADA (0.51) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL13415667 0.82 ADA (0.51) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL9548866 0.82 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL23982387 0.82 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL13690449 0.78 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL13415698 0.77 P2RY2 (0.53) ALDH1A1ADORA1SMN1; SMN2
SCHEMBL19941993 0.76 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL24499895 0.75 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL20794210 0.75 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBMAPK1

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-3936514-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2022-01-12 — — EP disclosed
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