SCHEMBL7713084

SCHEMBL7713084

CCCC(C)(C)OC(=O)N1CCOC(COCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.40
PTPN1 P18031 2/20 0.39
CDC25B P30305 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EPHA2 P29317 4/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ERBB2 P04626 1/20 0.36
EPHB4 P54760 1/20 0.36
LMNA P02545 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GRIN2B Q13224 1/20 0.36
DRD4 P21917 1/20 0.36
PARP1 P09874 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL969537 0.89 JAK2 (0.46) PDK1MEN1KMT2ANPSR1EPHA2
SCHEMBL306377 0.89 JAK2 (0.46) PDK1MEN1KMT2ANPSR1EPHA2
SCHEMBL306376 0.89 JAK2 (0.46) PDK1MEN1KMT2ANPSR1EPHA2
SCHEMBL3643228 0.82 MEN1 (0.46) PDK1PTPN1CDC25BMEN1KMT2A
SCHEMBL17823745 0.80 PDK1 (0.49) PDK1MEN1KMT2ANPSR1LMNA
SCHEMBL971720 0.80 PDK1 (0.49) PDK1MEN1KMT2ANPSR1LMNA
SCHEMBL17749375 0.79 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1JAK2JAK1
SCHEMBL29335644 0.79 MEN1 (0.55) PDK1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL21069485 0.78 EPHA2 (0.52) PDK1EPHA2GPR119ERBB2EPHB4
SCHEMBL30987068 0.78 JAK2 (0.47) JAK2JAK1GPR119LMNAPARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011136192-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-11-03 WO disclosed