SCHEMBL7057528

CCNC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O.CNC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O.CNC(=O)Nc1sc(-c2cccc(Cl)c2)cc1C(N)=O.CNC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O.COC(=O)c1cc(-c2ccccc2)sc1NC(N)=O.NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O.NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	IKBKB	O14920	4/20	0.52

▸	JAK2	O60674	2/20	0.52

▸	MEN1	O00255	1/20	0.52

▸	EIF2AK2	P19525	1/20	0.52

▸	KMT2A	Q03164	1/20	0.52

▸	TDP1	Q9NUW8	1/20	0.52

▸	HDAC6	Q9UBN7	1/20	0.52

▸	JAK3	P52333	1/20	0.49

▸	CHEK1	O14757	6/20	0.46

▸	MAP4K4	O95819	1/20	0.46

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
SCHEMBL7051439	0.89	IKBKB (0.67)	IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7055986	0.88	IKBKB (0.55)	IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5898681	0.79	JAK2 (0.61)	IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5898709	0.78	JAK2 (0.69)	IKBKBJAK2JAK3
SCHEMBL7056909	0.78	IKBKB (0.82)	IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL28374187	0.77	IKBKB (0.76)	IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5898657	0.77	IKBKB (0.76)	IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL1563696	0.74	IKBKB (0.74)	IKBKBJAK2MEN1KMT2AJAK3
SCHEMBL5898667	0.74	IKBKB (0.74)	IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7055914	0.74	JAK2 (0.61)	IKBKBJAK2MEN1EIF2AK2KMT2A

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-2003029241-A1	CHK1 KINASE INHIBITORS	SMITHKLINE BEECHAM CORPORATION (US)	2003-04-10	—	—	WO	disclosed