SCHEMBL20327209

Nc1nc2c(ncn2[C@H]2C[C@@H](F)[C@@H](COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@]3(CO)COP(O)(O)=S)O2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	2/20	0.45

▸	STING1	Q86WV6	12/20	0.42

▸	ENPP1	P22413	1/20	0.41

▸	P2RY1	P47900	1/20	0.41

▸	P2RY2	P41231	1/20	0.40

▸	P2RY4	P51582	1/20	0.40

▸	P2RY6	Q15077	1/20	0.40

▸	TERT	O14746	1/20	0.40

▸	DTYMK	P23919	1/20	0.40

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
SCHEMBL20324903	0.94	POLB (0.46)	POLBSTING1ENPP1P2RY1P2RY2
SCHEMBL20324658	0.94	POLB (0.46)	POLBSTING1ENPP1P2RY1P2RY2
SCHEMBL20325301	0.91	POLB (0.46)	POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL20324921	0.89	POLB (0.39)	POLBSTING1
SCHEMBL20324652	0.84	POLB (0.44)	POLBSTING1ENPP1P2RY1P2RY2
SCHEMBL20324904	0.84	POLB (0.39)	POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL20325303	0.83	STING1 (0.46)	POLBSTING1
SCHEMBL20327204	0.83	POLB (0.42)	POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL20327017	0.82	POLB (0.40)	POLBSTING1ENPP1P2RY1P2RY2
SCHEMBL20326960	0.81	POLB (0.39)	POLBSTING1P2RY2P2RY4P2RY6

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