SCHEMBL22872953

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

nearest known ligand 0.52

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	RNASEL	Q05823	8/20	0.49

▸	ADORA1	P30542	1/20	0.47

▸	FHIT	P49789	1/20	0.47

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
SCHEMBL20224939	0.90	RNASEL (0.49)	RNASELADORA1
SCHEMBL20224909	0.90	RNASEL (0.63)	RNASEL
SCHEMBL18937556	0.89	RNASEL (0.60)	RNASELADORA1
SCHEMBL22990422	0.86	RNASEL (0.43)	RNASEL
SCHEMBL20225028	0.85	RNASEL (0.51)	RNASEL
SCHEMBL22990461	0.84	STING1 (0.46)	ADORA1FHIT
SCHEMBL22990460	0.84	STING1 (0.46)	ADORA1FHIT
SCHEMBL20224912	0.83	FHIT (0.44)	ADORA1FHIT
SCHEMBL20224915	0.82	RNASEL (0.52)	RNASELADORA1
SCHEMBL29329246	0.82	RNASEL (0.51)	RNASELADORA1

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-2021005541-A1	ADMINISTRATION OF STING AGONIST AND CHECKPOINT INHIBITORS	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2021-01-14	—	—	WO	disclosed