SCHEMBL12475236 — predicted protein targets

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	EGFR	P00533	18/20	0.46

▸	KCNH2	Q12809	1/20	0.45

▸	CDC7	O00311	1/20	0.37

▸	ROCK2	O75116	1/20	0.37

▸	CCNB2	O95067	1/20	0.37

▸	MAP4K4	O95819	1/20	0.37

▸	CDK1	P06493	1/20	0.37

▸	RET	P07949	1/20	0.37

▸	CCNB1	P14635	1/20	0.37

▸	PRKACA	P17612	1/20	0.37

▸	CDK2	P24941	1/20	0.37

▸	GSK3B	P49841	1/20	0.37

▸	CCNB3	Q8WWL7	1/20	0.37

▸	HIPK2	Q9H2X6	1/20	0.37

▸	MKNK2	Q9HBH9	1/20	0.37

▸	IRAK4	Q9NWZ3	1/20	0.37

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
SCHEMBL2021439	0.82	EGFR (0.47)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2019036	0.81	EGFR (0.43)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL12475277	0.80	EGFR (0.46)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL12572739	0.77	CDC7 (0.47)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2020150	0.76	EGFR (0.49)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2016080	0.76	EGFR (0.49)	EGFRKCNH2CDC7ROCK2CCNB2
Hydrochloric Acid SCHEMBL2021469	0.76	CDC7 (0.46)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL12631663	0.76	EGFR (0.48)	EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2017372	0.75	EGFR (0.50)	EGFRKCNH2
SCHEMBL2017752	0.75	EGFR (0.48)	EGFRKCNH2CDC7ROCK2CCNB2

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-2011082266-A2	SUBSTITUTED HETEROCYCLIC COMPOUNDS	ARQULE, INC. (US)	2011-07-07	—	—	WO	disclosed