SCHEMBL7258849

SCHEMBL7258849

Nc1ncnc2c1nc(C#CCC1CCCCC1)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.69
HSPA5 P11021 3/20 0.61
HSPA8 P11142 2/20 0.61
GAPDH P04406 2/20 0.57
HSD17B10 Q99714 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HBB P68871 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL7258842 1.00 ADORA3 (0.69) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL472571 0.83 HSPA8 (0.72) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL472569 0.83 HSPA8 (0.72) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL7253894 0.81 ADORA3 (1.00) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL7257422 0.81 ADORA3 (0.73) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL7257417 0.81 ADORA3 (0.73) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL7253814 0.81 ADORA3 (0.81) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL7253816 0.81 ADORA3 (0.81) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL27758010 0.80 HSPA5 (0.73) ADORA3HSPA5HSPA8GAPDHHSD17B10
SCHEMBL7253856 0.80 ADORA3 (0.77) ADORA3HSPA5HSPA8GAPDHHSD17B10

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
WO-2003051881-A1 SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES RIBAPHARM INC. (US) 2003-06-26 WO disclosed