SCHEMBL29328694

SCHEMBL29328694

COc1nc2c(N)ncnc2n1[C@@H]1OC(CO)CC1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 4/20 0.48
HSPA5 P11021 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SLC28A2 O43868 4/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HBB P68871 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FBP1 P09467 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GAPDH P04406 1/20 0.42
AMD1 P17707 1/20 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
SCHEMBL2582785 0.91 HSPA5 (0.47) HSPA8HSPA5RXFP1LMNATP53
SCHEMBL14034324 0.87 AMD1 (0.55) HSPA8HSPA5RXFP1SLC28A2ADORA3
SCHEMBL3701954 0.84 NADK (0.57) HSPA8HSPA5RXFP1LMNAADORA3
SCHEMBL3704527 0.84 NADK (0.57) HSPA8HSPA5RXFP1LMNAADORA3
SCHEMBL19680323 0.84 AHCY (0.55) HSPA8HSPA5RXFP1SLC28A2LMNA
SCHEMBL9810594 0.81 ADORA3 (0.61) HSPA8HSPA5RXFP1SLC28A2LMNA
SCHEMBL9810606 0.81 ADORA3 (0.61) HSPA8HSPA5RXFP1SLC28A2LMNA
SCHEMBL23679560 0.81 HSPA8 (0.45) HSPA8HSPA5RXFP1SLC28A2LMNA
SCHEMBL9810713 0.81 HSPA8 (0.45) HSPA8HSPA5RXFP1SLC28A2LMNA
SCHEMBL1421820 0.81 HSPA8 (0.73) HSPA8HSPA5RXFP1SLC28A2LMNA

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-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed