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SCHEMBL8612960

SCHEMBL8612960

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]3O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 13/20 0.50
▸ ADORA1 P30542 3/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA3 P0DMS8 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
SCHEMBL8613141 0.94 TYMP (0.50) TYMPADORA1ADORA2A
SCHEMBL8610817 0.92 TYMP (0.59) TYMPADORA1ADORA2A
SCHEMBL8614751 0.92 TYMP (0.44) TYMP
SCHEMBL8614750 0.92 TYMP (0.44) TYMP
SCHEMBL8610091 0.90 TYMP (0.52) TYMPADORA1ADORA2AADORA3
SCHEMBL8610267 0.88 TYMP (0.49) TYMPADORA1ADORA2AADORA3
SCHEMBL8610245 0.87 TYMP (0.47) TYMPADORA1
SCHEMBL5963086 0.86 TYMP (0.54) TYMPADORA1ADORA2A
SCHEMBL9705754 0.85 TYMP (0.54) TYMPADORA1
SCHEMBL8611454 0.84 TYMP (0.52) TYMPADORA1

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