SCHEMBL8610180

SCHEMBL8610180

CCCC(=O)Nc1ncc2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H]3F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 13/20 0.43
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NT5E P21589 4/20 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
SCHEMBL8610184 1.00 TYMP (0.43) TYMPADORA3ADORA2AADORA1NT5E
SCHEMBL8611906 0.89 NT5E (0.43) TYMPNT5E
SCHEMBL8611900 0.89 NT5E (0.43) TYMPNT5E
SCHEMBL8609630 0.83 TYMP (0.43) TYMPADORA1NT5E
SCHEMBL8609626 0.83 TYMP (0.43) TYMPADORA1NT5E
SCHEMBL8611071 0.82 TYMP (0.49) TYMPADORA1
SCHEMBL8614262 0.81 TYMP (0.49) TYMPADORA1
SCHEMBL8610245 0.81 TYMP (0.47) TYMPADORA1
SCHEMBL8614306 0.80 TYMP (0.47) TYMPNT5E
SCHEMBL8610449 0.79 TYMP (0.47) 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 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