SCHEMBL19680287

SCHEMBL19680287

Nc1ncnc2c1nc(Cl)n2C1CCC(CO)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.54
▸ HSPA8 P11142 3/20 0.46
▸ HSPA5 P11021 2/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADORA3 P0DMS8 4/20 0.42
▸ ADORA2A P29274 4/20 0.42
▸ ADORA1 P30542 3/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADA P00813 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAPDH P04406 1/20 0.41
▸ SLC28A2 O43868 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL9810618 0.88 HSPA5 (0.57) HSPA8HSPA5PDE4APDE4BPDE4C
SCHEMBL29328691 0.86 ADORA2A (0.56) HSPA8HSPA5PDE4APDE4BPDE4C
SCHEMBL9617721 0.86 HSPA5 (0.46) AHCYHSPA8HSPA5RXFP1ADORA3
SCHEMBL29709122 0.86 ADORA2A (0.56) HSPA8HSPA5PDE4APDE4BPDE4C
SCHEMBL23679560 0.83 HSPA8 (0.45) HSPA8HSPA5RXFP1ADORA3ADORA2A
SCHEMBL9810713 0.83 HSPA8 (0.45) HSPA8HSPA5RXFP1ADORA3ADORA2A
SCHEMBL30149930 0.81 LMNA (0.38) AHCYPDE4DRXFP1ALDH1A1LMNA
SCHEMBL13835023 0.79 ADORA3 (0.64) AHCYHSPA8HSPA5PDE4APDE4B
SCHEMBL19680323 0.79 AHCY (0.55) AHCYHSPA8HSPA5PDE4APDE4B
SCHEMBL5982756 0.79 ADORA3 (0.64) AHCYHSPA8HSPA5PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464308-B1 8-CHLOROADENOSINE PHOSPHORAMIDATE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER NuCana plc (GB) 2020-08-19 — — EP disclosed
WO-2017207989-A1 ADENOSINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER NUCANA BIOMED LIMITED (GB) 2017-12-07 — — WO disclosed
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