SCHEMBL20327546

SCHEMBL20327546

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)S)C[C@H]2OP(=O)(S)OCC2CCC(n3ccc4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.48
▸ FUT5 Q11128 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ P2RY2 P41231 1/20 0.42
▸ P2RY4 P51582 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TGM2 P21980 1/20 0.40
▸ KRAS P01116 2/20 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

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
SCHEMBL20327210 1.00 STING1 (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20327551 1.00 STING1 (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20324898 1.00 STING1 (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20324706 0.93 STING1 (0.47) STING1FUT5F2NT5EP2RY2
SCHEMBL20324836 0.93 STING1 (0.47) STING1FUT5F2NT5EP2RY2
SCHEMBL20327045 0.92 POLB (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20324897 0.92 POLB (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20324708 0.92 POLB (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20327588 0.88 P2RY2 (0.48) STING1FUT5F2NT5EP2RY2
SCHEMBL20324784 0.88 STING1 (0.45) 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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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