SCHEMBL15580605

C=C(OC(C)(C)C)N1CCN(Cc2ccc3c(c2)cc(-c2cc(C(=O)OC)cn(COCC[Si](C)(C)C)c2=O)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NR1H2	P55055	11/20	0.34

▸	IDO1	P14902	1/20	0.34

▸	TDO2	P48775	1/20	0.34

▸	IDO2	Q6ZQW0	1/20	0.34

▸	GPR119	Q8TDV5	1/20	0.34

▸	TBK1	Q9UHD2	3/20	0.32

▸	KLKB1	P03952	1/20	0.32

▸	VEGFA	P15692	1/20	0.31

▸	EGLN1	Q9GZT9	1/20	0.31

▸	NR1H3	Q13133	1/20	0.31

▸	HDAC1	Q13547	1/20	0.31

▸	HDAC6	Q9UBN7	1/20	0.31

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
SCHEMBL950076	0.95	IDO1 (0.38)	NR1H2IDO1TDO2IDO2GPR119
SCHEMBL951721	0.88	IDO1 (0.40)	NR1H2IDO1TDO2IDO2GPR119
SCHEMBL12913236	0.87	NR1H2 (0.40)	NR1H2KLKB1NR1H3
SCHEMBL947878	0.83	CCNA2 (0.38)	NR1H2KLKB1
SCHEMBL16369357	0.83	NR1H2 (0.37)	NR1H2NR1H3
SCHEMBL948500	0.83	NR1H2 (0.38)	NR1H2KLKB1NR1H3
SCHEMBL948975	0.82	NR1H2 (0.47)	NR1H2NR1H3
SCHEMBL12913235	0.80	NR1H2 (0.40)	NR1H2NR1H3
SCHEMBL948198	0.80	SCD (0.48)	—
SCHEMBL948109	0.79	DGAT1 (0.45)	NR1H2GPR119NR1H3

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
EP-2294065-B1	INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY	VERNALIS R&D LTD (GB)	2014-03-19	—	—	EP	disclosed