SCHEMBL21636981

SCHEMBL21636981

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)C[C@H]2F)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ IMPDH2 P12268 6/20 0.54
▸ TGM2 P21980 1/20 0.53
▸ TAS1R3 Q7RTX0 2/20 0.52
▸ TAS1R1 Q7RTX1 2/20 0.52
▸ IMPDH1 P20839 2/20 0.51
▸ FUT5 Q11128 1/20 0.51
▸ STING1 Q86WV6 1/20 0.50
▸ HPRT1 P00492 1/20 0.49
▸ P2RY2 P41231 1/20 0.49
▸ P2RY4 P51582 1/20 0.49
▸ P2RY6 Q15077 1/20 0.49
▸ PNP P00491 1/20 0.48
▸ KRAS P01116 2/20 0.48

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
SCHEMBL21636997 1.00 NT5E (0.56) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL21417496 1.00 NT5E (0.56) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL20442307 0.90 POLB (0.61) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL2922052 0.90 POLB (0.61) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL20698981 0.90 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL21132941 0.87 POLB (0.67) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL20324606 0.87 POLB (0.67) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL9856344 0.87 POLB (0.67) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL23760838 0.86 NT5E (0.54) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL6053623 0.86 STING1 (0.52) NT5ESTING1HPRT1PNP

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
WO-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 — — WO disclosed
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