SCHEMBL851861

SCHEMBL851861

Nc1nc(I)c2ncn(-n3cnc4cncnc43)c2n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.32
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31

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
SCHEMBL6036330 0.86 CDK1 (0.44) FDPSCDK1CCNB1CCNE1CDK2
SCHEMBL852593 0.83 HSP90AB1 (0.41)
SCHEMBL9014630 0.79 FDPS (0.36) FDPS
SCHEMBL2120550 0.76 FDPS (0.45) FDPS
SCHEMBL120720 0.75 ADORA2A (0.49)
SCHEMBL28340215 0.75 FDPS (0.44) FDPS
SCHEMBL523465 0.73 XDH (0.47)
SCHEMBL5607948 0.73 XDH (0.31) FDPS
SCHEMBL28547400 0.72 CYP1A2 (0.40) FDPS
SCHEMBL27558464 0.71 FDPS (0.37) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433941-A1 Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Bristol-Myers Squibb Company (US) 2012-03-28 EP disclosed