SCHEMBL20763305

Nc1nc2c(ncn2[C@@H]2OC(COP(=O)(O)S)[C@@H](OP(=O)(S)OCC3C[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O3)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NT5E	P21589	1/20	0.58

▸	TGM2	P21980	1/20	0.56

▸	FUT5	Q11128	1/20	0.55

▸	POLB	P06746	1/20	0.51

▸	P2RY2	P41231	1/20	0.51

▸	P2RY4	P51582	1/20	0.51

▸	P2RY6	Q15077	1/20	0.51

▸	F2	P00734	1/20	0.51

▸	KRAS	P01116	12/20	0.50

▸	IMPDH2	P12268	1/20	0.49

▸	TAS1R3	Q7RTX0	1/20	0.48

▸	TAS1R1	Q7RTX1	1/20	0.48

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
SCHEMBL23477102	0.92	NT5E (0.54)	NT5ETGM2FUT5POLBP2RY2
SCHEMBL23477258	0.92	NT5E (0.54)	NT5ETGM2FUT5POLBP2RY2
SCHEMBL23476832	0.89	NT5E (0.48)	NT5ETGM2FUT5
SCHEMBL22352197	0.89	NT5E (0.58)	NT5ETGM2FUT5POLBP2RY2
SCHEMBL23476877	0.88	NT5E (0.52)	NT5ETGM2FUT5P2RY2TAS1R3
SCHEMBL21648046	0.88	TGM2 (0.61)	NT5ETGM2FUT5POLBP2RY2
SCHEMBL19448916	0.88	TGM2 (0.61)	NT5ETGM2FUT5POLBP2RY2
SCHEMBL20763154	0.87	NT5E (0.50)	NT5ETGM2FUT5P2RY2F2
SCHEMBL25552773	0.87	TGM2 (0.60)	NT5ETGM2FUT5POLBP2RY2
SCHEMBL22434680	0.87	NT5E (0.58)	NT5ETGM2FUT5KRASIMPDH2

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-2019034866-A1	BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF	Bicyclerd Limited (GB)	2019-02-21	—	—	WO	disclosed