SCHEMBL29486374

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NT5E	P21589	1/20	0.71

▸	TGM2	P21980	1/20	0.70

▸	FUT5	Q11128	1/20	0.65

▸	KRAS	P01116	5/20	0.64

▸	RNASEL	Q05823	4/20	0.62

▸	IMPDH2	P12268	5/20	0.61

▸	IMPDH1	P20839	1/20	0.61

▸	HINT1	P49773	1/20	0.59

▸	P2RX3	P56373	1/20	0.59

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
SCHEMBL29486372	1.00	NT5E (0.71)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL29822597	1.00	NT5E (0.71)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL29353975	1.00	NT5E (0.71)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL31452129	0.99	NT5E (0.72)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL18320601	0.96	NT5E (0.72)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL21163271	0.94	TGM2 (0.77)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL21163269	0.94	TGM2 (0.77)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL22646974	0.94	NT5E (0.67)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL20662559	0.94	NT5E (0.67)	NT5ETGM2FUT5KRASRNASEL
SCHEMBL21516016	0.94	RNASEL (0.71)	TGM2RNASELP2RX3

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
CN-114423284-A	T cell modulating polypeptides and methods of use thereof	库尔生物制药有限公司	2022-04-29	—	—	CN	disclosed