SCHEMBL9368671

SCHEMBL9368671

CCCCCCCCCCCCCCCC(=O)C1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 4/20 0.41
▸ CDA P32320 2/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL9572140 1.00 TK2 (0.41) TK2CDAADORA2AADORA2B
SCHEMBL9572131 1.00 TK2 (0.41) TK2CDAADORA2AADORA2B
SCHEMBL9572133 1.00 TK2 (0.41) TK2CDAADORA2AADORA2B
SCHEMBL9572128 1.00 TK2 (0.41) TK2CDAADORA2AADORA2B
SCHEMBL9368753 0.99 TK2 (0.40) TK2CDA
SCHEMBL9572132 0.86 CDA (0.33) TK2CDA
SCHEMBL65271 0.83 CDA (0.40) CDA
SCHEMBL21357702 0.83 CDA (0.40) CDA
SCHEMBL31337114 0.82 P2RY2 (0.50) —
SCHEMBL9057982 0.82 ADORA2A (0.37) CDAADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 — — EP claimed
EP-0342203-B1 2',3' DIDEOXYRIBOFURANOXIDE DERIVATIVES NYCOMED IMAGING AS (NO) 1994-07-06 — — EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 — — EP disclosed
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