SCHEMBL24081863

SCHEMBL24081863

C#C[C@H]1C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.55
▸ TGM2 P21980 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ P2RY6 Q15077 2/20 0.53
▸ P2RY2 P41231 1/20 0.53
▸ P2RY4 P51582 1/20 0.53
▸ KRAS P01116 2/20 0.52
▸ POLG P54098 2/20 0.51
▸ NT5E P21589 1/20 0.51
▸ PNP P00491 1/20 0.50
▸ POLA1 P09884 1/20 0.47
▸ P2RX3 P56373 2/20 0.46
▸ DCPS Q96C86 1/20 0.46
▸ ENPP1 P22413 1/20 0.45
▸ P2RY1 P47900 1/20 0.45
▸ P2RX1 P51575 1/20 0.45
▸ P2RY11 Q96G91 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ RNASEL Q05823 1/20 0.45
▸ STING1 Q86WV6 2/20 0.44

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
SCHEMBL23760838 0.92 NT5E (0.54) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL25712474 0.88 TGM2 (0.62) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL5334255 0.88 FUT5 (0.58) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL1913809 0.88 TGM2 (0.62) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL7065119 0.88 TGM2 (0.62) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL16647503 0.87 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL23584319 0.87 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL22475042 0.87 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL15833359 0.87 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL5326405 0.87 FUT5 (0.57) FUT5TGM2POLBP2RY6P2RY2

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
EP-3512863-B1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT ATEA PHARMACEUTICALS INC (US) 2021-12-08 — — EP disclosed
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