SCHEMBL8615093

SCHEMBL8615093

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.46
PDE2A O00408 1/20 0.41
ADORA1 P30542 2/20 0.40
NT5E P21589 5/20 0.39

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
SCHEMBL8615088 1.00 TYMP (0.46) TYMPPDE2AADORA1NT5E
SCHEMBL8610301 0.92 TYMP (0.52) TYMPADORA1NT5E
SCHEMBL8611229 0.91 TYMP (0.45) TYMPPDE2AADORA1NT5E
SCHEMBL8611227 0.91 TYMP (0.45) TYMPPDE2AADORA1NT5E
SCHEMBL8609957 0.90 TYMP (0.52) TYMPADORA1NT5E
SCHEMBL8609775 0.88 TYMP (0.48) TYMPPDE2AADORA1NT5E
SCHEMBL8613331 0.88 TYMP (0.46) TYMPPDE2AADORA1NT5E
SCHEMBL8610263 0.88 TYMP (0.54) TYMPADORA1NT5E
SCHEMBL8610259 0.88 TYMP (0.54) TYMPADORA1NT5E
SCHEMBL8611069 0.86 TYMP (0.62) 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 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