SCHEMBL9310338

SCHEMBL9310338

Nc1nc(N)c2ncn(C3CC(CO)C(CO)C3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.70
ADORA2B P29275 2/20 0.48
ADORA2A P29274 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
PDE4D Q08499 2/20 0.46
PNP P00491 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
PDE3A Q14432 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NR1I2 O75469 1/20 0.45
ALB P02768 1/20 0.45

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
SCHEMBL10648388 0.92 AHCY (0.62) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9311084 0.92 AHCY (0.65) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL23358323 0.90 AHCY (0.62) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9311466 0.86 AHCY (0.54) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9311442 0.86 AHCY (0.83) AHCYADORA2BPDE4DPNPLMNA
SCHEMBL10515207 0.84 AHCY (0.93) AHCYADORA2B
SCHEMBL10380907 0.84 AHCY (0.76) AHCYADORA2BCDK1CCNB1CCNE1
SCHEMBL8537735 0.84 AHCY (0.76) AHCYADORA2BCDK1CCNB1CCNE1
SCHEMBL10448110 0.84 AHCY (0.76) AHCYADORA2BCDK1CCNB1CCNE1
SCHEMBL8537728 0.84 AHCY (0.76) AHCYADORA2BCDK1CCNB1CCNE1

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
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 EP disclosed