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SCHEMBL8614751

SCHEMBL8614751

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 11/20 0.44
▸ NT5E P21589 8/20 0.42
▸ ACHE P22303 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
SCHEMBL8614750 1.00 TYMP (0.44) TYMPNT5EACHE
SCHEMBL8612960 0.92 TYMP (0.50) TYMP
SCHEMBL8613141 0.90 TYMP (0.50) TYMPNT5EACHE
SCHEMBL8609425 0.90 ACHE (0.49) TYMPNT5EACHE
SCHEMBL8609430 0.90 ACHE (0.49) TYMPNT5EACHE
SCHEMBL8610634 0.88 NT5E (0.46) TYMPNT5EACHE
SCHEMBL8610629 0.88 NT5E (0.46) TYMPNT5EACHE
SCHEMBL8610817 0.87 TYMP (0.59) TYMPNT5E
SCHEMBL5963086 0.82 TYMP (0.54) TYMPACHE
SCHEMBL8610091 0.82 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 1 patent. 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 claimed