SCHEMBL21637003

SCHEMBL21637003

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)S)[C@@H](OS(=O)(=O)NC[C@@H]3CC[C@H](n4cnc5c(N)ncnc54)O3)[C@H]2F)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.44
▸ STING1 Q86WV6 14/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ KRAS P01116 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL21637070 0.95 TAS1R3 (0.47) NT5ESTING1
SCHEMBL21637056 0.93 NT5E (0.51) NT5E
SCHEMBL20324534 0.88 STING1 (0.47) NT5ESTING1
SCHEMBL20326954 0.88 STING1 (0.47) NT5ESTING1
SCHEMBL21636985 0.87 POLB (0.48) STING1POLB
SCHEMBL21637066 0.87 TAS1R3 (0.49) NT5ESTING1
SCHEMBL21637057 0.83 POLB (0.50) STING1POLB
SCHEMBL20326953 0.82 STING1 (0.49) NT5ESTING1POLB
SCHEMBL20325358 0.82 STING1 (0.49) NT5ESTING1POLB
SCHEMBL20326964 0.81 RNASEL (0.48) NT5ETGM2

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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