SCHEMBL934576

Brc1ccc(-c2ncc3cc(Br)ccc3n2)nc1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncc4cc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)ccc4n3)nc2)n1COCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	USP30	Q70CQ3	2/20	0.33

▸	CHEK2	O96017	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	GPR119	Q8TDV5	4/20	0.31

▸	DGAT1	O75907	1/20	0.31

▸	HCRTR1	O43613	1/20	0.30

▸	UCHL1	P09936	1/20	0.30

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
SCHEMBL1889464	0.95	CHEK2 (0.35)	CHEK2KMT2AGPR119DGAT1
SCHEMBL1885141	0.93	CHEK2 (0.36)	CHEK2KMT2AGPR119DGAT1
SCHEMBL934276	0.89	CHEK2 (0.36)	CHEK2KMT2AGPR119
SCHEMBL932651	0.86	DGAT1 (0.36)	CHEK2KMT2AGPR119DGAT1
SCHEMBL12661134	0.86	CHEK2 (0.38)	CHEK2KMT2AGPR119
SCHEMBL1885144	0.85	CHEK2 (0.32)	CHEK2GPR119
SCHEMBL932607	0.84	CHEK2 (0.36)	CHEK2KMT2AGPR119
SCHEMBL12661219	0.83	GPR119 (0.36)	CHEK2KMT2AGPR119DGAT1
SCHEMBL1888626	0.83	DGAT1 (0.37)	CHEK2KMT2AGPR119DGAT1
SCHEMBL932815	0.82	ALDH1A1 (0.36)	CHEK2KMT2AGPR119

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-2011004276-A1	HEPATITIS C VIRUS INHIBITORS	PFIZER LIMITED (GB)	2011-01-13	—	—	WO	disclosed