SCHEMBL19983719

Cc1cn([C@H]2C[C@@H](F)[C@@H](COC(=O)CCC(=O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3F)O2)c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ABCG2	Q9UNQ0	3/20	0.64

▸	ABCB1	P08183	1/20	0.64

▸	TK1	P04183	6/20	0.56

▸	TK2	O00142	1/20	0.52

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
SCHEMBL17635438	0.93	ABCG2 (0.58)	ABCG2ABCB1TK1TK2
SCHEMBL12865101	0.93	ABCG2 (0.58)	ABCG2ABCB1TK1TK2
SCHEMBL9639852	0.91	ABCG2 (0.67)	ABCG2ABCB1TK1TK2
SCHEMBL9639848	0.91	ABCG2 (0.67)	ABCG2ABCB1TK1TK2
SCHEMBL9157298	0.90	TK1 (0.57)	ABCG2ABCB1TK1
SCHEMBL22512589	0.90	TK1 (0.57)	ABCG2ABCB1TK1
SCHEMBL9011675	0.90	TK1 (0.57)	ABCG2ABCB1TK1
SCHEMBL9156285	0.90	TK1 (0.57)	ABCG2ABCB1TK1
SCHEMBL19983496	0.89	ABCG2 (0.82)	ABCG2ABCB1TK1
SCHEMBL9843870	0.88	TK1 (0.54)	ABCG2ABCB1TK1

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-2175863-B1	SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES	EASTERN VIRGINIA MEDICAL SCHOOL (US)	2018-03-21	—	—	EP	disclosed