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SCHEMBL20324622

SCHEMBL20324622

Nc1nc2c(nnn2[C@H]2CC[C@@H](COP(O)(=S)O[C@H]3[C@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(O)=S)O2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 10/20 0.43
▸ NT5E P21589 1/20 0.43
▸ ENPP1 P22413 3/20 0.41
▸ P2RY11 Q96G91 1/20 0.41
▸ FHIT P49789 1/20 0.41
▸ DTYMK P23919 2/20 0.41

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
SCHEMBL20324616 0.93 STING1 (0.42) STING1NT5EENPP1P2RY11FHIT
SCHEMBL20326932 0.91 STING1 (0.49) STING1NT5E
SCHEMBL20326964 0.86 RNASEL (0.48) NT5E
SCHEMBL20327595 0.84 STING1 (0.43) STING1NT5EENPP1P2RY11FHIT
SCHEMBL20327586 0.83 RNASEL (0.58) —
SCHEMBL18511025 0.83 NT5E (0.53) NT5EENPP1P2RY11FHIT
SCHEMBL18511017 0.83 NT5E (0.53) NT5EENPP1P2RY11FHIT
SCHEMBL20324637 0.83 STING1 (0.44) STING1DTYMK
SCHEMBL18521590 0.82 NT5E (0.52) NT5EENPP1P2RY11FHIT
SCHEMBL20327596 0.82 STING1 (0.37) STING1NT5EENPP1P2RY11FHIT

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