SCHEMBL20324915

SCHEMBL20324915

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ STING1 Q86WV6 16/20 0.47
▸ NT5E P21589 2/20 0.45

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
SCHEMBL23477263 0.93 NT5E (0.48) STING1NT5E
SCHEMBL20326953 0.91 STING1 (0.49) POLBSTING1NT5E
SCHEMBL20325358 0.91 STING1 (0.49) POLBSTING1NT5E
SCHEMBL22080410 0.88 NT5E (0.51) STING1NT5E
SCHEMBL22930650 0.86 POLB (0.51) POLBSTING1
SCHEMBL20326933 0.84 POLB (0.52) POLBSTING1
SCHEMBL20325346 0.83 POLB (0.64) POLBNT5E
SCHEMBL20325348 0.83 POLB (0.64) POLBNT5E
SCHEMBL21132776 0.82 NT5E (0.54) POLBNT5E
SCHEMBL22930658 0.82 POLB (0.53) POLBNT5E

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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