SCHEMBL6884970

CC(=O)N(CCCN1CCCC1=O)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CC(=O)NCCCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	LCK	P06239	3/20	0.43

▸	SRC	P12931	3/20	0.43

▸	TEK	Q02763	1/20	0.43

▸	BTK	Q06187	16/20	0.42

▸	HCK	P08631	2/20	0.39

▸	FYN	P06241	1/20	0.39

▸	YES1	P07947	1/20	0.39

▸	LYN	P07948	1/20	0.39

▸	FGR	P09769	1/20	0.39

▸	TEC	P42680	1/20	0.39

▸	TXK	P42681	1/20	0.39

▸	BLK	P51451	1/20	0.39

▸	BMX	P51813	1/20	0.39

▸	ERBB4	Q15303	1/20	0.39

▸	METTL3	Q86U44	1/20	0.39

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
SCHEMBL6466862	0.88	LCK (0.56)	LCKSRCTEKBTKHCK
SCHEMBL6466861	0.88	LCK (0.49)	LCKSRCTEKBTKHCK
SCHEMBL6463938	0.85	LCK (0.59)	LCKSRCTEKBTKHCK
SCHEMBL6463940	0.85	LCK (0.52)	LCKSRCTEKBTKHCK
SCHEMBL6461408	0.84	LCK (0.60)	LCKSRCTEKBTKHCK
SCHEMBL6461413	0.84	LCK (0.53)	LCKSRCTEKBTKHCK
SCHEMBL6459608	0.81	LCK (0.54)	LCKSRCTEKBTKHCK
SCHEMBL6459603	0.81	LCK (0.61)	LCKSRCTEKBTKHCK
SCHEMBL6461718	0.80	LCK (0.62)	LCKSRCTEKBTKHCK
SCHEMBL6461723	0.80	LCK (0.55)	LCKSRCTEKBTKHCK

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-2004100868-A2	METHOD OF TREATING TRANSPLANT REJECTION	ABBOTT LABORATORIES (US)	2004-11-25	—	—	WO	disclosed