SCHEMBL2724366

SCHEMBL2724366

CC(=O)N1CC2(CSC2)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.46
NOTUM Q6P988 3/20 0.43
MAPT P10636 2/20 0.42
LGMN Q99538 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 5/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CB P42338 3/20 0.40
KMO O15229 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
GAA P10253 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL2124487 0.90 PIK3CA (0.49) PRKDCNOTUMMAPTLGMNMEN1
SCHEMBL2126046 0.87 PIK3CA (0.44) PRKDCNOTUMMAPTLGMNMEN1
SCHEMBL2123409 0.85 NOTUM (0.52) PRKDCNOTUMMAPTLGMNMEN1
SCHEMBL1612985 0.78 NOTUM (0.48) NOTUMMAPT
SCHEMBL2126993 0.77 PIK3CA (0.46) PRKDCLGMNMEN1KMT2APIK3CA
SCHEMBL2729800 0.75 IDH1 (0.41) PRKDCLGMNMEN1KMT2APIK3CA
SCHEMBL17436499 0.72 PDE4B (0.53) NOTUM
SCHEMBL2608566 0.72 NOTUM (0.57) PRKDCNOTUMMAPTLGMNMEN1
SCHEMBL5065354 0.72 PRKDC (0.50) PRKDCNOTUMMAPTLGMNMEN1
SCHEMBL2124036 0.71 PIK3CA (0.42) LGMNMEN1KMT2APIK3CAPIK3CD

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