SCHEMBL7750736

SCHEMBL7750736

CC(C)C1OCC(Cn2cnc3c(N)ncnc32)CO1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.52
ADORA1 P30542 6/20 0.52
PI4KA P42356 4/20 0.51
PI4K2B Q8TCG2 4/20 0.51
PI4K2A Q9BTU6 4/20 0.51
PI4KB Q9UBF8 4/20 0.51
ADORA2B P29275 3/20 0.49
AHCY P23526 4/20 0.45
METTL3 Q86U44 1/20 0.43
METTL14 Q9HCE5 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7745011 0.78 HSP90AB1 (0.47)
SCHEMBL10172072 0.73 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10172012 0.73 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6757983 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12620928 0.71 ADORA2A (0.77) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL25861 0.70 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4960973 0.69 ADORA2A (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1982410 0.69 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17162883 0.69 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29135598 0.69 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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