SCHEMBL19680323

SCHEMBL19680323

Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@H](CO)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.55
▸ HSPA8 P11142 3/20 0.50
▸ HSPA5 P11021 2/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ GAPDH P04406 1/20 0.44
▸ SLC28A2 O43868 2/20 0.44
▸ HSP90B1 P14625 1/20 0.44
▸ 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
▸ ADK P55263 1/20 0.43

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
SCHEMBL14034324 0.87 AMD1 (0.55) HSPA8HSPA5RXFP1ADORA3ADORA2A
SCHEMBL3704527 0.86 NADK (0.57) HSPA8HSPA5PDE4APDE4BPDE4C
SCHEMBL3701954 0.86 NADK (0.57) HSPA8HSPA5PDE4APDE4BPDE4C
SCHEMBL29328694 0.84 HSPA8 (0.48) HSPA8HSPA5RXFP1ADORA3ADORA2A
SCHEMBL2582785 0.83 HSPA5 (0.47) HSPA8HSPA5RXFP1ADORA3ADORA2A
SCHEMBL13835026 0.80 ADORA3 (0.64) AHCYHSPA8HSPA5PDE4APDE4B
SCHEMBL5982756 0.80 ADORA3 (0.64) AHCYHSPA8HSPA5PDE4APDE4B
SCHEMBL5982752 0.80 ADORA3 (0.64) AHCYHSPA8HSPA5PDE4APDE4B
SCHEMBL13835023 0.80 ADORA3 (0.64) AHCYHSPA8HSPA5PDE4APDE4B
8-Chloroadenosine SCHEMBL987731 0.79 HSPA8 (0.78) HSPA8HSPA5RXFP1ADORA3ADORA2A

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-2017207989-A1 ADENOSINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER NUCANA BIOMED LIMITED (GB) 2017-12-07 — — WO disclosed
Send feedback