SCHEMBL29795157 — predicted protein targets

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	IDO1	P14902	1/20	0.38

▸	CDK2	P24941	3/20	0.36

▸	FLT3	P36888	3/20	0.36

▸	CCNA1	P78396	3/20	0.36

▸	PIM3	Q86V86	1/20	0.32

▸	METAP2	P50579	3/20	0.32

▸	JAK2	O60674	4/20	0.31

▸	JAK1	P23458	4/20	0.31

▸	TYK2	P29597	4/20	0.31

▸	JAK3	P52333	4/20	0.31

▸	CCNT1	O60563	2/20	0.31

▸	CDK1	P06493	2/20	0.31

▸	CCNB1	P14635	2/20	0.31

▸	CCNA2	P20248	2/20	0.31

▸	CCNE1	P24864	2/20	0.31

▸	CDK9	P50750	2/20	0.31

▸	CYP1A2	P05177	1/20	0.30

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
SCHEMBL21542750	0.80	IDO1 (0.37)	IDO1CDK2METAP2JAK2JAK1
SCHEMBL26894061	0.79	IDO1 (0.39)	IDO1CDK2METAP2JAK2JAK1
SCHEMBL16728595	0.77	LPL (0.37)	IDO1CDK2FLT3CCNA1PIM3
SCHEMBL30005887	0.77	LPL (0.37)	IDO1CDK2FLT3CCNA1PIM3
SCHEMBL16637189	0.75	IDO1 (0.38)	IDO1CDK2FLT3CCNA1METAP2
SCHEMBL20577611	0.75	TRPA1 (0.30)	—
SCHEMBL1284278	0.74	METAP2 (0.42)	IDO1METAP2CYP1A2
SCHEMBL30892204	0.74	METAP2 (0.42)	IDO1METAP2CYP1A2
SCHEMBL27358505	0.73	IDO1 (0.46)	IDO1CDK2FLT3CCNA1PIM3
SCHEMBL13676393	0.72	IDO1 (0.44)	IDO1CDK2FLT3CCNA1PIM3

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-2022173033-A1	4-AMINOQUINAZOLINE COMPOUNDS	アステラス製薬株式会社	2022-08-18	—	—	WO	disclosed