SCHEMBL21260281

CC[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)[nH]c2cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BIRC3	Q13489	10/20	0.54

▸	XIAP	P98170	7/20	0.54

▸	BIRC2	Q13490	2/20	0.54

▸	BIRC7	Q96CA5	1/20	0.54

▸	TNF	P01375	14/20	0.50

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
SCHEMBL14848172	0.95	BIRC3 (0.59)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL949681	0.95	BIRC3 (0.59)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL17277668	0.95	BIRC3 (0.59)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL5037551	0.95	BIRC3 (0.59)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12946317	0.95	BIRC3 (0.59)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL14848179	0.95	BIRC3 (0.59)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL21260484	0.92	BIRC3 (0.56)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL21260307	0.90	BIRC3 (0.54)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12946407	0.89	BIRC3 (0.53)	BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL21260257	0.88	BIRC3 (0.51)	BIRC3XIAPBIRC2BIRC7TNF

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-2019154053-A1	IAP INHIBITOR AND USE OF SAME IN MEDICINE	广东东阳光药业有限公司	2019-08-15	—	—	WO	disclosed