SCHEMBL8611227

SCHEMBL8611227

CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 9/20 0.45
PDE2A O00408 1/20 0.44
SLC29A1 Q99808 6/20 0.44
ADORA1 P30542 2/20 0.43
NT5E P21589 2/20 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
SCHEMBL8611229 1.00 TYMP (0.45) TYMPPDE2ASLC29A1ADORA1NT5E
SCHEMBL8609374 0.91 TYMP (0.52) TYMPSLC29A1ADORA1
SCHEMBL8615088 0.91 TYMP (0.46) TYMPPDE2AADORA1NT5E
SCHEMBL8615093 0.91 TYMP (0.46) TYMPPDE2AADORA1NT5E
SCHEMBL8613109 0.90 PDE2A (0.53) TYMPPDE2AADORA1NT5E
SCHEMBL8613116 0.90 PDE2A (0.53) TYMPPDE2AADORA1NT5E
SCHEMBL8610275 0.89 TYMP (0.52) TYMPSLC29A1ADORA1
SCHEMBL8613385 0.88 TYMP (0.46) TYMPPDE2ASLC29A1ADORA1NT5E
SCHEMBL8613729 0.88 TYMP (0.54) TYMPPDE2ANT5E
SCHEMBL8613736 0.88 TYMP (0.54) TYMPPDE2ANT5E

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