SCHEMBL20324535

SCHEMBL20324535

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2OP(=O)(S)OC[C@@H]2CC[C@H](c3cnc4c(N)ncnn34)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.47
▸ FUT5 Q11128 1/20 0.43
▸ F2 P00734 2/20 0.42
▸ NT5E P21589 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TGM2 P21980 1/20 0.39
▸ KRAS P01116 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HINT1 P49773 1/20 0.38
▸ P2RY2 P41231 1/20 0.37
▸ P2RY4 P51582 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL20324891 0.96 STING1 (0.47) STING1FUT5F2NT5EPOLB
SCHEMBL18511004 0.92 STING1 (0.47) STING1FUT5F2NT5EPOLB
SCHEMBL24499586 0.92 STING1 (0.47) STING1FUT5F2NT5EPOLB
SCHEMBL18511002 0.92 STING1 (0.47) STING1FUT5F2NT5EPOLB
SCHEMBL18521219 0.92 STING1 (0.47) STING1FUT5F2NT5EPOLB
SCHEMBL20327053 0.89 STING1 (0.48) STING1FUT5F2NT5EPOLB
SCHEMBL21539236 0.89 STING1 (0.46) STING1FUT5F2NT5EPOLB
SCHEMBL18522191 0.89 STING1 (0.46) STING1FUT5F2NT5EPOLB
SCHEMBL22399602 0.88 STING1 (0.46) STING1FUT5F2NT5EPOLB
SCHEMBL18521220 0.86 STING1 (0.48) STING1FUT5F2NT5EPOLB

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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