SCHEMBL15580644

COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BTN3A1	O00481	4/20	0.36

▸	CYP3A4	P08684	2/20	0.35

▸	CYP2C9	P11712	2/20	0.35

▸	RIPK1	Q13546	4/20	0.34

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
SCHEMBL10142738	1.00	BTN3A1 (0.36)	BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL10142737	0.96	CYP3A4 (0.35)	BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL15580649	0.96	CYP3A4 (0.35)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL18293537	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL14845668	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL14845666	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL10142654	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL10142658	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL10142646	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1
Gs-6620 SCHEMBL18293556	0.95	CYP3A4 (0.41)	BTN3A1CYP3A4CYP2C9RIPK1

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-2576534-B1	1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT	GILEAD SCIENCES INC (US)	2014-03-19	—	—	EP	disclosed