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SCHEMBL8613074

SCHEMBL8613074

O=C(Nc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](O)[C@H]3OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 14/20 0.49
▸ NT5E P21589 2/20 0.45
▸ SLC29A1 Q99808 1/20 0.44
▸ ACHE P22303 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
SCHEMBL8610267 0.94 TYMP (0.49) TYMPNT5ESLC29A1
SCHEMBL8613305 0.92 TYMP (0.58) TYMPNT5ESLC29A1
SCHEMBL8610629 0.90 NT5E (0.46) TYMPNT5ESLC29A1ACHE
SCHEMBL8610634 0.90 NT5E (0.46) TYMPNT5ESLC29A1ACHE
SCHEMBL8611454 0.90 TYMP (0.52) TYMPNT5EACHE
SCHEMBL9705666 0.89 TYMP (0.58) TYMP
SCHEMBL8613141 0.88 TYMP (0.50) TYMPNT5EACHE
SCHEMBL8610479 0.87 TYMP (0.47) TYMPNT5E
SCHEMBL9705299 0.85 TYMP (0.56) TYMPNT5E
SCHEMBL8610091 0.84 TYMP (0.52) TYMPNT5EACHE

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
US-5750675-A 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-05-12 — — US disclosed
US-5525720-A Synthesis of 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosyl purines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-11 — — US disclosed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 — — WO disclosed