SCHEMBL754837

CCNC(=O)Nc1ccc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)cc1.Cc1nc(N)cc(-c2c(Nc3cc[nH]n3)nc3ccc(C(F)(F)F)cn23)n1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3cccnn23)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PIK3CA	P42336	8/20	0.39

▸	MTOR	P42345	8/20	0.39

▸	PDE4A	P27815	2/20	0.34

▸	PDE4B	Q07343	2/20	0.34

▸	PDE4C	Q08493	2/20	0.34

▸	PDE4D	Q08499	2/20	0.34

▸	EPHX2	P34913	7/20	0.32

▸	ALOX5	P09917	5/20	0.32

▸	KLKB1	P03952	1/20	0.32

▸	TRPV1	Q8NER1	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
SCHEMBL11029184	0.80	PIK3CA (0.56)	PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL11029150	0.78	PIK3CA (0.58)	PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL11031149	0.76	MTOR (0.44)	PIK3CAMTOR
SCHEMBL11031019	0.75	PIK3CA (0.59)	PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL11029462	0.74	PIK3CA (0.54)	PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL750520	0.73	PIK3CA (0.67)	PIK3CAMTOR
SCHEMBL755436	0.73	PIK3CA (0.39)	PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL2786787	0.73	PIK3CA (0.63)	PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL11032907	0.72	PIK3CA (0.54)	PIK3CAMTORKLKB1
SCHEMBL754861	0.72	PIK3CA (0.54)	PIK3CAMTORPDE4APDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2430013-A1	HETEROARYL COMPOUNDS AS PIKK INHIBITORS	Amgen, Inc (US)	2012-03-21	—	—	EP	claimed
WO-2010132598-A1	HETEROARYL COMPOUNDS AS PIKK INHIBITORS	AMGEN INC. (US)	2010-11-18	—	—	WO	claimed