SCHEMBL9780702

SCHEMBL9780702

CCc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)nc1NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 5/20 0.45
▸ POLB P06746 1/20 0.45
▸ DNMT3B Q9UBC3 1/20 0.43
▸ ADRB1 P08588 1/20 0.41

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
SCHEMBL9780709 1.00 DNMT1 (0.45) DNMT1POLBDNMT3BADRB1
SCHEMBL9780701 0.92 POLB (0.51) DNMT1POLBDNMT3BADRB1
SCHEMBL9780708 0.92 POLB (0.51) DNMT1POLBDNMT3BADRB1
SCHEMBL25504696 0.83 POLB (0.46) DNMT1POLBADRB1
SCHEMBL9780721 0.83 — —
SCHEMBL9780713 0.83 — —
SCHEMBL26537753 0.82 POLB (0.45) DNMT1POLBADRB1
SCHEMBL6466613 0.81 POLB (0.52) DNMT1POLBDNMT3BADRB1
SCHEMBL5953531 0.81 POLB (0.52) DNMT1POLBDNMT3BADRB1
SCHEMBL21886710 0.81 POLB (0.52) DNMT1POLBDNMT3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 — — US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 — — US disclosed
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