SCHEMBL8612947

CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1F

nearest known ligand 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	9/20	0.52

▸	NT5E	P21589	1/20	0.46

▸	P2RY12	Q9H244	1/20	0.45

▸	ADORA1	P30542	2/20	0.45

▸	BMPR1B	O00238	1/20	0.44

▸	PRKAB2	O43741	1/20	0.44

▸	PRKAG1	P54619	1/20	0.44

▸	PRKAA2	P54646	1/20	0.44

▸	PRKAA1	Q13131	1/20	0.44

▸	PRKAG3	Q9UGI9	1/20	0.44

▸	PRKAG2	Q9UGJ0	1/20	0.44

▸	PRKAB1	Q9Y478	1/20	0.44

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
SCHEMBL8612941	1.00	TYMP (0.52)	TYMPNT5EP2RY12ADORA1BMPR1B
SCHEMBL9705256	0.91	TYMP (0.59)	TYMPP2RY12ADORA1BMPR1B
SCHEMBL9706200	0.90	TYMP (0.59)	TYMPP2RY12ADORA1BMPR1B
SCHEMBL8609425	0.89	ACHE (0.49)	TYMPNT5E
SCHEMBL8609430	0.89	ACHE (0.49)	TYMPNT5E
SCHEMBL8612807	0.85	TYMP (0.58)	TYMPNT5EADORA1
SCHEMBL8610263	0.83	TYMP (0.54)	TYMPNT5EADORA1
SCHEMBL8610259	0.83	TYMP (0.54)	TYMPNT5EADORA1
SCHEMBL8612951	0.83	TYMP (0.71)	TYMPNT5EADORA1
SCHEMBL8614637	0.83	TYMP (0.56)	TYMPNT5EADORA1

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
US-5750675-A	2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines	SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US)	1998-05-12	—	—	US	claimed