SCHEMBL4727394

SCHEMBL4727394

N#CCCO[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.42

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
SCHEMBL4727404 1.00 ADORA1 (0.46) ADORA1POLBKDM4ESLC29A1
SCHEMBL18521449 0.90 ADORA1 (0.43) ADORA1POLBSLC29A1
SCHEMBL29514600 0.88 KDM4E (0.56) ADORA1POLBKDM4ESLC29A1
SCHEMBL17860588 0.87 ADORA1 (0.40) ADORA1POLBSLC29A1
SCHEMBL31629565 0.87 POLB (0.49) ADORA1POLBSLC29A1
SCHEMBL19519648 0.86 POLB (0.61) ADORA1POLBSLC29A1
SCHEMBL15143709 0.86 POLB (0.61) ADORA1POLBSLC29A1
SCHEMBL11683614 0.86 POLB (0.61) ADORA1POLBSLC29A1
SCHEMBL12362206 0.86 POLB (0.61) ADORA1POLBSLC29A1
SCHEMBL11049246 0.85 POLB (0.51) ADORA1POLBSLC29A1

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
WO-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 — — WO disclosed
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