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SCHEMBL8613141

SCHEMBL8613141

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 13/20 0.50
▸ ACHE P22303 1/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ NT5E P21589 2/20 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
SCHEMBL8612960 0.94 TYMP (0.50) TYMPADORA1ADORA2A
SCHEMBL8610817 0.92 TYMP (0.59) TYMPADORA1ADORA2ANT5E
SCHEMBL8614751 0.90 TYMP (0.44) TYMPACHENT5E
SCHEMBL8614750 0.90 TYMP (0.44) TYMPACHENT5E
SCHEMBL8611454 0.90 TYMP (0.52) TYMPACHEADORA1NT5E
SCHEMBL5963086 0.90 TYMP (0.54) TYMPACHEADORA1ADORA2A
SCHEMBL8613074 0.88 TYMP (0.49) TYMPACHENT5E
SCHEMBL5963136 0.88 TYMP (0.52) TYMPACHEADORA2A
SCHEMBL8610449 0.87 TYMP (0.47) TYMPADORA1
SCHEMBL9705378 0.85 TYMP (0.54) TYMPADORA1NT5E

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-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