SCHEMBL2729800

SCHEMBL2729800

CC(C)(C)OC(=O)N1CC2(CCSCC2)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
LGMN Q99538 4/20 0.41
GPR119 Q8TDV5 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
PIK3CA P42336 8/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.38
MTOR P42345 1/20 0.37
PRKDC P78527 1/20 0.37
PDK2 Q15119 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2124036 0.88 PIK3CA (0.42) IDH1LGMNGPR119ABHD6PIK3CA
SCHEMBL2731130 0.81 KDM1A (0.39) ABHD6USP30KDM1A
SCHEMBL2124487 0.77 PIK3CA (0.49) LGMNPIK3CAPIK3CDPIK3CBMEN1
SCHEMBL22471426 0.77 PIK3CA (0.40) PIK3CAUSP30KDM1A
SCHEMBL29966436 0.77 PIK3CA (0.40) PIK3CAUSP30KDM1A
SCHEMBL28521491 0.77 NR1H2 (0.42) PIK3CAPIK3CDPIK3CBUSP30KDM1A
SCHEMBL2724366 0.75 PRKDC (0.46) LGMNABHD6PIK3CAPIK3CDPIK3CB
SCHEMBL2123930 0.75 PIK3CA (0.56) IDH1PIK3CA
SCHEMBL30898670 0.74 NOTUM (0.53) KDM1A
SCHEMBL15676941 0.74 NOTUM (0.53) KDM1A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed