SCHEMBL8612802

SCHEMBL8612802

O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1F

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.72
GSK3A P49840 2/20 0.46
RPS6KA3 P51812 2/20 0.46
MAPK14 Q16539 2/20 0.46
P2RX3 P56373 1/20 0.45
NT5E P21589 2/20 0.44
ADORA1 P30542 2/20 0.41
PDE2A O00408 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
SCHEMBL8614634 0.90 TYMP (0.57) TYMPNT5EADORA1PDE2A
SCHEMBL8613718 0.87 TYMP (0.55) TYMPGSK3ARPS6KA3MAPK14NT5E
SCHEMBL8613722 0.87 TYMP (0.55) TYMPGSK3ARPS6KA3MAPK14NT5E
SCHEMBL8614529 0.86 TYMP (0.53) TYMPNT5EPDE2A
SCHEMBL29822408 0.84 TYMP (1.00) TYMPGSK3ARPS6KA3MAPK14P2RX3
SCHEMBL8612807 0.82 TYMP (0.58) TYMPNT5EADORA1
SCHEMBL8614637 0.82 TYMP (0.56) TYMPNT5EADORA1PDE2A
SCHEMBL8612956 0.82 TYMP (0.71) TYMPNT5EADORA1PDE2A
SCHEMBL8612951 0.82 TYMP (0.71) TYMPNT5EADORA1PDE2A
SCHEMBL8612740 0.82 TYMP (0.54) TYMPNT5EADORA1

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