SCHEMBL2723741

SCHEMBL2723741

CC1(C)CN(CC=O)c2cc(I)ccc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
NOTUM Q6P988 1/20 0.33
XIAP P98170 1/20 0.31
BIRC2 Q13490 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2481350 0.82 SLC22A12 (0.38) SLC22A12NOTUMXIAPBIRC2
SCHEMBL2720836 0.78 ESPL1 (0.39) SLC22A12
SCHEMBL447188 0.78 NOTUM (0.50) SLC22A12NOTUMBIRC2
SCHEMBL1042950 0.74 NOTUM (0.62) SLC22A12NOTUMXIAPBIRC2
SCHEMBL22346077 0.74 KMT2A (0.42) SLC22A12
SCHEMBL27635870 0.74 SLC6A2 (0.32) NOTUM
SCHEMBL1612802 0.70 NOTUM (0.39) NOTUMXIAPBIRC2
SCHEMBL27635869 0.68 NOTUM (0.37) SLC22A12NOTUMXIAPBIRC2
SCHEMBL12713555 0.68 PDE4B (0.35)
SCHEMBL2912534 0.66 KMT2A (0.39)

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