SCHEMBL2728526

Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)cc(F)c2c1Cl.Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PIK3CA	P42336	14/20	0.56

▸	PIK3CD	O00329	2/20	0.38

▸	MAPT	P10636	2/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	CCNK	O75909	1/20	0.36

▸	CCNA2	P20248	1/20	0.36

▸	CDK2	P24941	1/20	0.36

▸	CCND3	P30281	1/20	0.36

▸	CDK9	P50750	1/20	0.36

▸	CDK6	Q00534	1/20	0.36

▸	P2RX7	Q99572	1/20	0.35

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
SCHEMBL2712367	0.96	PIK3CA (0.60)	PIK3CAPIK3CDMAPTMEN1TSHR
SCHEMBL2712876	0.89	PIK3CA (0.59)	PIK3CAPIK3CD
SCHEMBL2712287	0.88	PIK3CA (0.44)	PIK3CAPIK3CD
SCHEMBL2711742	0.87	PIK3CA (0.51)	PIK3CAPIK3CD
SCHEMBL2711063	0.87	PIK3CA (0.53)	PIK3CAPIK3CDMAPTMEN1KMT2A
SCHEMBL2712028	0.86	PIK3CA (0.52)	PIK3CAPIK3CD
SCHEMBL3784742	0.86	PIK3CA (0.50)	PIK3CAPIK3CD
SCHEMBL3784969	0.86	PIK3CA (0.50)	PIK3CAPIK3CD
SCHEMBL3784744	0.86	PIK3CA (0.50)	PIK3CAPIK3CD
SCHEMBL2727603	0.86	PIK3CA (0.42)	PIK3CAPIK3CD

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-2445886-A1	HETEROCYCLIC COMPOUNDS AND THEIR USES	Amgen, Inc (US)	2012-05-02	—	—	EP	disclosed
WO-2010151791-A1	HETEROCYCLIC COMPOUNDS AND THEIR USES	AMGEN INC. (US)	2010-12-29	—	—	WO	disclosed