SCHEMBL20324706

SCHEMBL20324706

Nc1nc2c(ncn2[C@@H]2O[C@H](CO[PH](=O)O)CC2OP(=O)(S)OCC2CC[C@H](n3ccc4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 7/20 0.47
▸ F2 P00734 1/20 0.43
▸ FUT5 Q11128 1/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ P2RY4 P51582 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KRAS P01116 3/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TGM2 P21980 1/20 0.39

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
SCHEMBL20324836 1.00 STING1 (0.47) STING1F2FUT5P2RY2P2RY4
SCHEMBL22524118 0.94 STING1 (0.48) STING1F2FUT5P2RY2P2RY4
SCHEMBL20324898 0.93 STING1 (0.48) STING1F2FUT5P2RY2P2RY4
SCHEMBL20327551 0.93 STING1 (0.48) STING1F2FUT5P2RY2P2RY4
SCHEMBL20327546 0.93 STING1 (0.48) STING1F2FUT5P2RY2P2RY4
SCHEMBL20327210 0.93 STING1 (0.48) STING1F2FUT5P2RY2P2RY4
SCHEMBL20327545 0.92 FUT5 (0.45) STING1F2FUT5NT5EPOLB
SCHEMBL21943938 0.85 FUT5 (0.53) STING1F2FUT5P2RY2P2RY4
SCHEMBL20327045 0.85 POLB (0.48) STING1F2FUT5P2RY2P2RY4
SCHEMBL20324708 0.85 POLB (0.48) STING1F2FUT5P2RY2P2RY4

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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