SCHEMBL933197

COc1nc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)O)n3COCC[Si](C)(C)C)cc2)nc2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3COCC[Si](C)(C)C)cc12.COc1nc(-c2ccc(I)cc2)nc2ccc(Br)cc12

nearest known ligand 0.32

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	USP30	Q70CQ3	1/20	0.32

▸	CHEK2	O96017	1/20	0.32

▸	KMT2A	Q03164	1/20	0.31

▸	GPR119	Q8TDV5	2/20	0.31

▸	PIK3CD	O00329	2/20	0.30

▸	PIK3CA	P42336	2/20	0.30

▸	PIK3CB	P42338	2/20	0.30

▸	PIK3CG	P48736	2/20	0.30

▸	F11	P03951	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
SCHEMBL933194	1.00	USP30 (0.32)	USP30CHEK2KMT2AGPR119PIK3CD
SCHEMBL933077	0.94	USP30 (0.32)	USP30CHEK2KMT2AGPR119
SCHEMBL933079	0.94	USP30 (0.32)	USP30CHEK2KMT2AGPR119
SCHEMBL1882908	0.93	CHEK2 (0.35)	CHEK2KMT2AGPR119PIK3CDPIK3CA
SCHEMBL1890113	0.91	CHEK2 (0.36)	CHEK2KMT2AGPR119PIK3CDPIK3CA
SCHEMBL933074	0.91	USP30 (0.31)	USP30CHEK2KMT2AGPR119
SCHEMBL12661209	0.87	CHEK2 (0.34)	CHEK2KMT2AGPR119PIK3CDPIK3CA
SCHEMBL1044322	0.86	CHEK2 (0.35)	CHEK2KMT2AGPR119F11
SCHEMBL1887080	0.84	CHEK2 (0.36)	CHEK2KMT2AGPR119F11
SCHEMBL1890115	0.84	CHEK2 (0.32)	CHEK2GPR119

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