SCHEMBL9763828

SCHEMBL9763828

Nc1ncc2ncn(C/C=C\CO)c2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 11/20 0.52
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ADRA1A P35348 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TK1 P04183 1/20 0.33
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL9763834 1.00 AHCY (0.52) AHCYHDAC6KDM4EALDH1A1HPGD
SCHEMBL9763826 1.00 AHCY (0.52) AHCYHDAC6KDM4EALDH1A1HPGD
SCHEMBL9764166 0.81 AHCY (0.53) AHCYHDAC6KDM4EALDH1A1HPGD
SCHEMBL4551666 0.80 HDAC6 (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL469371 0.80 HDAC6 (0.49) AHCYHDAC6KDM4EALDH1A1HPGD
SCHEMBL3151968 0.78 KDM4E (0.55) HDAC6KDM4EALDH1A1HPGDADRA1A
Detiviciclovir SCHEMBL7744996 0.75 KDM4E (0.52) AHCYHDAC6KDM4EALDH1A1HPGD
SCHEMBL14642669 0.74 CDK1 (0.56) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL10509936 0.74 AHCY (0.57) AHCYHDAC6HSP90AA1HSP90AB1
SCHEMBL10509931 0.74 AHCY (0.57) AHCYHDAC6HSP90AA1HSP90AB1

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
US-5036071-A Herper virus MEDIVIR AB (SE) 1991-07-30 US claimed
EP-0186640-B1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Medivir Aktiebolag (SE) 1990-02-07 EP claimed
EP-0186640-A1 Derivatives of purine, process for their preparation and a pharmaceutical preparation Medivir Aktiebolag (SE) 1986-07-02 EP claimed
US-5036071-A Herper virus MEDIVIR AB (SE) 1991-07-30 US disclosed
EP-0186640-B1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Medivir Aktiebolag (SE) 1990-02-07 EP disclosed
EP-0186640-A1 Derivatives of purine, process for their preparation and a pharmaceutical preparation Medivir Aktiebolag (SE) 1986-07-02 EP disclosed