SCHEMBL9308490

SCHEMBL9308490

Nc1ncnc2c1ncn2C1CC(CO)C(CO)C1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.70
ADORA2B P29275 3/20 0.70
ADORA2A P29274 5/20 0.68
ADORA3 P0DMS8 3/20 0.68
ADORA1 P30542 3/20 0.68
PI4KA P42356 3/20 0.64
PI4K2B Q8TCG2 3/20 0.64
PI4K2A Q9BTU6 3/20 0.64
PI4KB Q9UBF8 3/20 0.64
ADCY5 O95622 1/20 0.58
ADA P00813 1/20 0.57

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
SCHEMBL9687054 0.93 AHCY (0.66) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL12173989 0.93 AHCY (0.66) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL12157236 0.93 AHCY (0.66) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL10521577 0.92 AHCY (0.61) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9308668 0.92 ADORA2A (0.69) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9309056 0.92 ADORA2A (0.69) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL19714828 0.90 ADORA2B (0.59) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9343603 0.90 ADORA2A (0.67) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9343605 0.90 ADORA2A (0.67) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL19714913 0.87 ADCY5 (0.64) AHCYADORA2BADORA2AADORA3ADORA1

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