SCHEMBL22990422

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)S)O[C@H]2n2cc(F)c3c(=O)[nH]cnc32)C[C@H]1F

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	RNASEL	Q05823	3/20	0.43

▸	DTYMK	P23919	2/20	0.43

▸	P2RY1	P47900	3/20	0.42

▸	P2RY2	P41231	2/20	0.42

▸	SRC	P12931	1/20	0.42

▸	P2RX1	P51575	1/20	0.42

▸	P2RX3	P56373	1/20	0.42

▸	P2RX4	Q99571	1/20	0.42

▸	P2RX2	Q9UBL9	1/20	0.42

▸	ALDH1A1	P00352	1/20	0.42

▸	SMN1; SMN2	Q16637	1/20	0.42

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
SCHEMBL22990411	0.90	STING1 (0.48)	RNASELP2RY1P2RY2SRCP2RX1
SCHEMBL22990460	0.88	STING1 (0.46)	DTYMKP2RY1P2RY2SRCP2RX1
SCHEMBL22990461	0.88	STING1 (0.46)	DTYMKP2RY1P2RY2SRCP2RX1
SCHEMBL22872953	0.86	RNASEL (0.49)	RNASEL
SCHEMBL20224880	0.86	DTYMK (0.38)	RNASELDTYMKP2RX1P2RX3P2RX4
SCHEMBL22990366	0.86	RNASEL (0.45)	RNASELDTYMK
SCHEMBL20224913	0.85	DTYMK (0.38)	RNASELDTYMKP2RX1P2RX3P2RX4
SCHEMBL20224909	0.85	RNASEL (0.63)	RNASEL
SCHEMBL20325359	0.85	FUT5 (0.51)	DTYMK
SCHEMBL20224912	0.82	FHIT (0.44)	DTYMKP2RY1P2RY2SRCP2RX1

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
EP-3512861-B1	CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS	TAKEDA PHARMACEUTICALS CO (JP)	2021-02-17	—	—	EP	disclosed