SCHEMBL31570701

SCHEMBL31570701

CC(O)=[SH]C[C@H]1O[C@@H](n2cc(F)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.51
▸ PI4K2B Q8TCG2 1/20 0.51
▸ PI4K2A Q9BTU6 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PRMT5 O14744 6/20 0.44
▸ WDR77 Q9BQA1 5/20 0.44
▸ P2RX1 P51575 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ ADK P55263 7/20 0.41
▸ AMD1 P17707 2/20 0.40

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
SCHEMBL31526134 0.87 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL31526096 0.83 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18009863 0.81 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18009847 0.76 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24179763 0.76 PRMT5 (0.56) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL24179761 0.76 PRMT5 (0.43) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24625897 0.76 PRMT5 (0.56) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL18009754 0.75 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18571721 0.75 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18535300 0.75 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1

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-4553080-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2025-05-14 — — EP disclosed
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