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SCHEMBL20324889

SCHEMBL20324889

Nc1nc2c(ncn2[C@@H]2O[C@H](CO[PH](=O)O)CC2OP(=O)(S)OC[C@@H]2C[C@H](F)[C@H](n3cnc4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 17/20 0.47
▸ 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
SCHEMBL20324531 0.92 STING1 (0.49) STING1FUT5
SCHEMBL20324741 0.92 STING1 (0.49) STING1FUT5
SCHEMBL22083402 0.92 STING1 (0.49) STING1FUT5
SCHEMBL20326925 0.91 STING1 (0.46) STING1
SCHEMBL20327545 0.91 FUT5 (0.45) STING1FUT5
SCHEMBL22907448 0.89 STING1 (0.46) STING1FUT5
SCHEMBL20325359 0.86 FUT5 (0.51) STING1FUT5
SCHEMBL21942713 0.86 NT5E (0.53) STING1FUT5
SCHEMBL21943948 0.86 NT5E (0.53) STING1FUT5
SCHEMBL22080175 0.86 NT5E (0.49) STING1FUT5

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-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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