SCHEMBL20327217

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(S)OC3C[C@H](n4cc(F)c5c(N)ncnc54)O[C@@H]3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	1/20	0.47

▸	TERT	O14746	1/20	0.44

▸	STING1	Q86WV6	1/20	0.43

▸	FUT5	Q11128	1/20	0.41

▸	F2	P00734	2/20	0.41

▸	P2RY2	P41231	1/20	0.41

▸	P2RY4	P51582	1/20	0.41

▸	P2RY6	Q15077	1/20	0.41

▸	NT5E	P21589	1/20	0.40

▸	DTYMK	P23919	2/20	0.38

▸	P2RY1	P47900	1/20	0.38

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
SCHEMBL20324791	0.97	POLB (0.47)	POLBTERTSTING1FUT5F2
SCHEMBL20324893	0.93	POLB (0.49)	POLBTERTSTING1FUT5F2
SCHEMBL20324790	0.92	STING1 (0.45)	POLBSTING1FUT5F2NT5E
SCHEMBL20324784	0.92	STING1 (0.45)	POLBSTING1FUT5F2NT5E
SCHEMBL20326935	0.91	POLB (0.51)	POLBTERTSTING1F2P2RY2
SCHEMBL16221597	0.91	POLB (0.51)	POLBTERTSTING1F2P2RY2
SCHEMBL22434567	0.91	POLB (0.51)	POLBTERTSTING1F2P2RY2
SCHEMBL16221825	0.90	POLB (0.56)	POLBFUT5F2P2RY2P2RY4
SCHEMBL20324900	0.89	POLB (0.49)	POLBTERTSTING1FUT5P2RY2
SCHEMBL20326982	0.89	POLB (0.49)	POLBTERTSTING1FUT5P2RY2

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