SCHEMBL7745013

SCHEMBL7745013

Nc1ncnc2c1ncn2CC(CO)CO

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 11/20 0.76
ADORA2A P29274 6/20 0.76
ADORA1 P30542 4/20 0.68
PI4KA P42356 2/20 0.64
PI4K2B Q8TCG2 2/20 0.64
PI4K2A Q9BTU6 2/20 0.64
PI4KB Q9UBF8 2/20 0.64
ALDH1A1 P00352 1/20 0.63
ADORA2B P29275 1/20 0.56

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
SCHEMBL8839648 0.91 AHCY (0.68) AHCYADORA2AADORA1PI4KAPI4K2B
(S)-Dhpa SCHEMBL936286 0.86 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
(S)-Dhpa SCHEMBL28605202 0.86 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
(S)-Dhpa SCHEMBL936287 0.86 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL11474105 0.85 AHCY (0.76) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL4088282 0.85 ADORA2A (0.70) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL16603993 0.84 AHCY (0.85) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL5180861 0.84 AHCY (0.74) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL6040056 0.83 ADORA2A (0.75) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL10672842 0.82 FGFR1 (0.65) AHCYADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP claimed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP claimed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO claimed
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed