SCHEMBL20326934

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(S)O[C@H]3[C@H](F)[C@H](n4nnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	STING1	Q86WV6	12/20	0.49

▸	NT5E	P21589	1/20	0.42

▸	POLB	P06746	1/20	0.42

▸	FUT5	Q11128	1/20	0.41

▸	TGM2	P21980	1/20	0.40

▸	P2RY2	P41231	1/20	0.40

▸	P2RY4	P51582	1/20	0.40

▸	P2RY6	Q15077	1/20	0.40

▸	KRAS	P01116	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
SCHEMBL20326954	0.93	STING1 (0.47)	STING1NT5E
SCHEMBL20324534	0.93	STING1 (0.47)	STING1NT5E
SCHEMBL20326932	0.89	STING1 (0.49)	STING1NT5EPOLBFUT5TGM2
SCHEMBL20324916	0.87	STING1 (0.49)	STING1NT5EPOLBFUT5TGM2
SCHEMBL23476786	0.86	STING1 (0.46)	STING1
SCHEMBL22352078	0.86	RNASEL (0.52)	NT5E
SCHEMBL20324726	0.85	FUT5 (0.38)	STING1NT5EPOLBFUT5TGM2
SCHEMBL20326986	0.83	STING1 (0.44)	STING1NT5EPOLBFUT5TGM2
SCHEMBL22083250	0.83	STING1 (0.49)	STING1NT5EPOLBFUT5TGM2
SCHEMBL23476832	0.83	NT5E (0.48)	STING1NT5EFUT5TGM2

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