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Sugi Predict / Compounds / SCHEMBL20326953

SCHEMBL20326953

SCHEMBL20326953

Nc1nc2c(ncn2[C@H]2C[C@H](F)[C@@H](COP(=O)(S)OC3[C@@H](COP(=O)(O)S)O[C@@H](n4cnc5c(N)ncnc54)[C@H]3F)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 15/20 0.49
▸ POLB P06746 1/20 0.49
▸ NT5E P21589 2/20 0.47

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
SCHEMBL20325358 1.00 STING1 (0.49) STING1POLBNT5E
SCHEMBL21132776 0.92 NT5E (0.54) POLBNT5E
SCHEMBL20326933 0.91 POLB (0.52) STING1POLB
SCHEMBL20324915 0.91 POLB (0.47) STING1POLBNT5E
SCHEMBL20324534 0.90 STING1 (0.47) STING1NT5E
SCHEMBL20326954 0.90 STING1 (0.47) STING1NT5E
SCHEMBL23476832 0.90 NT5E (0.48) STING1NT5E
SCHEMBL22930743 0.89 NT5E (0.48) STING1NT5E
SCHEMBL21540039 0.88 POLB (0.49) STING1POLB
SCHEMBL20326926 0.88 STING1 (0.48) STING1NT5E

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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