SCHEMBL20325355

C[C@@]1(COP(=O)(S)O[C@@H]2C[C@@H](COP(=O)(O)S)O[C@H]2n2cnc3c(=O)[nH]c(N)nc32)CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	1/20	0.44

▸	FUT5	Q11128	1/20	0.43

▸	STING1	Q86WV6	8/20	0.42

▸	NT5E	P21589	1/20	0.42

▸	F2	P00734	1/20	0.42

▸	P2RX1	P51575	1/20	0.41

▸	P2RX3	P56373	1/20	0.41

▸	P2RX4	Q99571	1/20	0.41

▸	DTYMK	P23919	2/20	0.41

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
SCHEMBL22083417	0.92	POLB (0.43)	POLBFUT5STING1NT5EF2
SCHEMBL22352076	0.86	FUT5 (0.49)	POLBFUT5STING1NT5EF2
SCHEMBL20327043	0.85	STING1 (0.44)	POLBFUT5STING1NT5EP2RX1
SCHEMBL22083395	0.85	STING1 (0.44)	POLBFUT5STING1NT5EP2RX1
SCHEMBL22083402	0.85	STING1 (0.49)	FUT5STING1NT5E
SCHEMBL20324531	0.85	STING1 (0.49)	FUT5STING1NT5E
SCHEMBL20324741	0.85	STING1 (0.49)	FUT5STING1NT5E
SCHEMBL22083126	0.83	STING1 (0.43)	POLBFUT5STING1NT5EF2
SCHEMBL22083745	0.83	F2 (0.47)	POLBFUT5STING1F2
SCHEMBL22083404	0.82	FUT5 (0.44)	POLBFUT5STING1NT5EF2

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