SCHEMBL27720792

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(C(=O)C2NCc4c(Cl)ccc(-c5cc6cc(C(N)Cc7cccnc7)ccc6n5C(=O)OC(C)(C)C)c42)NC3)cc2cc(C(N)Cc3cccnc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TTK	P33981	4/20	0.36

▸	NR1H2	P55055	9/20	0.33

▸	BRD4	O60885	1/20	0.33

▸	CREBBP	Q92793	1/20	0.33

▸	NAMPT	P43490	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	CYP3A5	P20815	1/20	0.32

▸	NR1H3	Q13133	2/20	0.32

▸	GPR119	Q8TDV5	2/20	0.31

▸	ATR	Q13535	2/20	0.31

▸	ATRIP	Q8WXE1	2/20	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
SCHEMBL28772320	0.93	TTK (0.35)	TTKNR1H2BRD4CREBBPNR1H3
SCHEMBL27720797	0.93	NR1H2 (0.33)	TTKNR1H2BRD4CREBBPNAMPT
SCHEMBL27700210	0.92	NR1H2 (0.33)	TTKNR1H2BRD4CREBBPNR1H3
SCHEMBL28772268	0.88	BRD4 (0.35)	TTKNR1H2BRD4CREBBPNR1H3
SCHEMBL27700223	0.87	NR1H2 (0.34)	TTKNR1H2BRD4CREBBPNR1H3
SCHEMBL27700204	0.86	BRD4 (0.34)	TTKNR1H2BRD4CREBBPNR1H3
SCHEMBL27700173	0.86	NR1H2 (0.35)	TTKNR1H2BRD4CREBBPNR1H3
SCHEMBL28768687	0.85	BRD4 (0.34)	NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL27700283	0.85	NR1H2 (0.34)	NR1H2BRD4CREBBPNR1H3
SCHEMBL27700332	0.85	BRD4 (0.35)	TTKNR1H2BRD4CREBBPNR1H3

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
CN-101163675-A	Nitrogen-containing heterocyclic compound	KYOWA HAKKO KOGYO KK (JP)	2008-04-16	—	—	CN	disclosed