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
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