SCHEMBL19987319

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1OC2(F)C([C@@H]2n2cnc3c(NCc4ccccc4)ncnc32)C1(C)COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.42

▸	CYP2C9	P11712	2/20	0.42

▸	DNPH1	O43598	1/20	0.41

▸	NT5E	P21589	1/20	0.39

▸	P2RX3	P56373	1/20	0.39

▸	P2RX2	Q9UBL9	1/20	0.39

▸	ADORA3	P0DMS8	5/20	0.38

▸	TSHR	P16473	1/20	0.37

▸	BTN3A1	O00481	1/20	0.37

▸	IARS1	P41252	1/20	0.36

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
SCHEMBL19987160	0.87	DNPH1 (0.46)	CYP3A4CYP2C9DNPH1NT5EP2RX3
SCHEMBL19987311	0.85	CYP3A4 (0.46)	CYP3A4CYP2C9DNPH1NT5EP2RX3
SCHEMBL19987333	0.85	NT5E (0.45)	CYP3A4CYP2C9NT5E
SCHEMBL19987349	0.84	CYP3A4 (0.44)	CYP3A4CYP2C9DNPH1NT5EP2RX3
SCHEMBL19987222	0.84	CYP3A4 (0.43)	CYP3A4CYP2C9P2RX3P2RX2BTN3A1
SCHEMBL19987378	0.83	DNPH1 (0.44)	CYP3A4CYP2C9DNPH1NT5EP2RX3
SCHEMBL21511223	0.82	NT5E (0.42)	CYP3A4CYP2C9NT5E
SCHEMBL19987279	0.78	CYP3A4 (0.51)	CYP3A4CYP2C9BTN3A1
SCHEMBL19987158	0.78	NT5E (0.53)	NT5E
SCHEMBL21511235	0.78	CYP3A4 (0.40)	CYP3A4CYP2C9NT5EBTN3A1

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-2018049535-A1	NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF	LCB PHARMA INC. (CA)	2018-03-22	—	—	WO	disclosed