SCHEMBL8616145

SCHEMBL8616145

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)[C@H]2O)c(=O)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.62
NT5E P21589 1/20 0.62
FUT5 Q11128 1/20 0.60
P2RY2 P41231 2/20 0.58
P2RY4 P51582 1/20 0.58
P2RY6 Q15077 1/20 0.58
KRAS P01116 3/20 0.57
RNASEL Q05823 7/20 0.57
IMPDH2 P12268 4/20 0.54
IMPDH1 P20839 1/20 0.54
GSK3A P49840 1/20 0.54
RPS6KA3 P51812 1/20 0.54
MAPK14 Q16539 1/20 0.54

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
SCHEMBL8611555 1.00 TGM2 (0.62) TGM2NT5EFUT5P2RY2P2RY4
SCHEMBL16245474 0.96 TGM2 (0.62) TGM2NT5EFUT5P2RY2P2RY4
SCHEMBL29945617 0.95 RNASEL (0.64) TGM2RNASEL
SCHEMBL31268379 0.95 RNASEL (0.64) TGM2RNASEL
SCHEMBL31452129 0.93 NT5E (0.72) TGM2NT5EFUT5P2RY2P2RY4
Cytarabine 5'-Phosphate SCHEMBL28224063 0.92 NT5E (0.67) TGM2NT5EFUT5P2RY2P2RY4
Cytarabine 5'-Phosphate SCHEMBL249411 0.92 NT5E (0.67) TGM2NT5EFUT5P2RY2P2RY4
E626 SCHEMBL8655976 0.92 NT5E (0.67) TGM2NT5EFUT5P2RY2P2RY4
SCHEMBL1983921 0.92 NT5E (0.71) TGM2NT5EFUT5P2RY2P2RY4
SCHEMBL18281060 0.92 NT5E (0.71) TGM2NT5EFUT5P2RY2P2RY4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US disclosed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP disclosed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO disclosed