SCHEMBL20214747

CC(C)CNc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(OCCC#N)OC[C@H]2O[C@@H](c3cnn4c(Nc5ccccc5)ncnc34)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[PH](=O)O)c(=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TAS1R3	Q7RTX0	2/20	0.33

▸	TAS1R1	Q7RTX1	2/20	0.33

▸	DNPH1	O43598	1/20	0.32

▸	IMPDH2	P12268	1/20	0.31

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
SCHEMBL21073933	0.89	KDM4E (0.37)	TAS1R3TAS1R1IMPDH2
SCHEMBL20214768	0.87	TAS1R3 (0.35)	TAS1R3TAS1R1DNPH1IMPDH2
SCHEMBL20214610	0.86	DNPH1 (0.35)	TAS1R3TAS1R1DNPH1IMPDH2
SCHEMBL25495905	0.79	KDM4E (0.38)	TAS1R3TAS1R1IMPDH2
SCHEMBL27104319	0.79	KDM4E (0.38)	TAS1R3TAS1R1IMPDH2
SCHEMBL21073930	0.78	KDM4E (0.38)	TAS1R3TAS1R1IMPDH2
SCHEMBL19762769	0.77	KDM4E (0.38)	TAS1R3TAS1R1DNPH1
SCHEMBL17317469	0.77	TAS1R3 (0.36)	TAS1R3TAS1R1IMPDH2
SCHEMBL21073932	0.77	KDM4E (0.38)	TAS1R3TAS1R1DNPH1IMPDH2
SCHEMBL23350797	0.76	KDM4E (0.45)	TAS1R3TAS1R1IMPDH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3512861-A2	CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTEFERON GENES) AGONISTS	Takeda Pharmaceutical Company Limited (JP)	2019-07-24	—	—	EP	disclosed
WO-2018100558-A2	CYCLIC DINUCLEOTIDE	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2018-06-07	—	—	WO	disclosed