SCHEMBL1662364

SCHEMBL1662364

CC(C)(C)OC(=O)N1CCC(c2nc(CC(I)N3CCCC3)c[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGDS O60760 2/20 0.40
DPP4 P27487 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
TRPV3 Q8NET8 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9894772 0.86 MAPT (0.46) KDM4EMAPTTHRBHPGDSDPP4
SCHEMBL16457485 0.82 KDM4E (0.49) KDM4EMAPTTHRBHPGDSDPP4
SCHEMBL1664606 0.81 KDM4E (0.46) KDM4EMAPTTHRBHPGDSDPP4
SCHEMBL16457261 0.81 KDM4E (0.48) KDM4EMAPTTHRBHPGDSDPP4
SCHEMBL27986654 0.81 KDM4E (0.48) KDM4EMAPTTHRBHPGDSHPGD
SCHEMBL16457442 0.79 THRB (0.49) KDM4EMAPTTHRBHPGDSDPP4
SCHEMBL16457551 0.79 KDM4E (0.49) KDM4EMAPTTHRBHPGDSHPGD
SCHEMBL1662538 0.79 KDM4E (0.46) KDM4EMAPTTHRBHPGDSDPP4
SCHEMBL2512441 0.76 KDM4E (0.52) KDM4EMAPTTHRBHPGDSMEN1
SCHEMBL16457400 0.76 KDM4E (0.49) KDM4EMAPTTHRBHPGDSHPGD

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-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 WO disclosed