SCHEMBL4745241

SCHEMBL4745241

COC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
PI4KA P42356 4/20 0.54
PI4K2B Q8TCG2 4/20 0.54
PI4K2A Q9BTU6 4/20 0.54
PI4KB Q9UBF8 4/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NFKB1 P19838 2/20 0.54
BLM P54132 2/20 0.54
TP53 P04637 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.54
APEX1 P27695 1/20 0.54
KMT2A Q03164 1/20 0.54
ADCY1 Q08828 1/20 0.54
ADORA2A P29274 4/20 0.52
ADA P00813 1/20 0.52
ADORA3 P0DMS8 2/20 0.50
ADORA1 P30542 2/20 0.50

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
SCHEMBL22524135 1.00 BCHE (0.57) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL20624631 1.00 BCHE (0.57) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL23516968 1.00 BCHE (0.57) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL13998327 0.89 BCHE (0.56) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL10427715 0.89 BCHE (0.55) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL22990405 0.87 BCHE (0.54) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL22133234 0.87 BCHE (0.56) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL23800751 0.87 BCHE (0.47) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL13939562 0.86 PI4KA (0.57) BCHEPI4KAPI4K2BPI4K2API4KB
SCHEMBL23094395 0.86 ADA (0.56) BCHEPI4KAPI4K2BPI4K2API4KB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250368-A2 ATXN2 RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-12-28 WO disclosed
WO-2023114700-A1 MAPT RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-06-22 WO disclosed
WO-2021046426-A9 CYCLIC DINUCLEOTIDE STING AGONISTS TETHERED TO A PD-1 OR CTLA-4 ANTIBODIES SPEROVIE BIOSCIENCES, INC. (US) 2022-02-17 WO disclosed
WO-2021178818-A2 THERAPEUTIC AGENTS AND CONJUGATES THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-09-10 WO disclosed
WO-2021046426-A1 CYCLIC DINUCLEOTIDE STING AGONISTS TETHERED TO A PD-1 OR CTLA-4 ANTIBODIES SPEROVIE BIOSCIENCES, INC. (US) 2021-03-11 WO disclosed
WO-2008118879-A2 ANTIVIRAL COMPOSITIONS COMPRISING 2 COMPOUNDS ARDEA BIOSCIENCES, INC. (US) 2008-10-02 WO disclosed