SCHEMBL20324784

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)S)CC2OP(=O)(S)OC[C@@H]2CC[C@H](n3cc(F)c4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	STING1	Q86WV6	6/20	0.45

▸	FUT5	Q11128	1/20	0.45

▸	NT5E	P21589	1/20	0.42

▸	POLB	P06746	1/20	0.41

▸	F2	P00734	2/20	0.41

▸	TGM2	P21980	1/20	0.40

▸	KRAS	P01116	2/20	0.39

▸	DTYMK	P23919	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL20324790	1.00	STING1 (0.45)	STING1FUT5NT5EPOLBF2
SCHEMBL20324793	0.95	FUT5 (0.47)	STING1FUT5NT5EPOLBF2
SCHEMBL20324901	0.95	FUT5 (0.47)	STING1FUT5NT5EPOLBF2
SCHEMBL20327217	0.92	POLB (0.47)	STING1FUT5NT5EPOLBF2
SCHEMBL20326986	0.90	STING1 (0.44)	STING1FUT5NT5EPOLBTGM2
SCHEMBL20326944	0.89	FUT5 (0.48)	STING1FUT5NT5EPOLBF2
SCHEMBL22524137	0.89	FUT5 (0.48)	STING1FUT5NT5EPOLBF2
SCHEMBL20324791	0.89	POLB (0.47)	STING1FUT5NT5EPOLBF2
SCHEMBL20327546	0.88	STING1 (0.48)	STING1FUT5NT5EPOLBF2
SCHEMBL20324898	0.88	STING1 (0.48)	STING1FUT5NT5EPOLBF2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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