SCHEMBL20327610

SCHEMBL20327610

Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(S)O[C@H]3[C@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)S)S2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.48
▸ STING1 Q86WV6 13/20 0.46
▸ FHIT P49789 2/20 0.46
▸ FUT5 Q11128 1/20 0.46

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
SCHEMBL23476832 0.90 NT5E (0.48) NT5ESTING1FUT5
SCHEMBL20324630 0.90 STING1 (0.46) NT5ESTING1FHIT
SCHEMBL22930761 0.88 NT5E (0.52) NT5EFHITFUT5
SCHEMBL20325358 0.88 STING1 (0.49) NT5ESTING1
SCHEMBL20326953 0.88 STING1 (0.49) NT5ESTING1
SCHEMBL22930629 0.87 NT5E (0.51) NT5EFHIT
SCHEMBL22930743 0.87 NT5E (0.48) NT5ESTING1FHITFUT5
SCHEMBL20326954 0.86 STING1 (0.47) NT5ESTING1
SCHEMBL20324534 0.86 STING1 (0.47) NT5ESTING1
SCHEMBL23476877 0.86 NT5E (0.52) NT5ESTING1FHITFUT5

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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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