SCHEMBL2904062

SCHEMBL2904062

CC(C)(C)OC(=O)N1CCC(Nc2cccc3cc(C4=N[C@H](C(O)C(=O)C(C)(C)C)CS4)[nH]c23)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.42
PIM2 Q9P1W9 5/20 0.42
PARP1 P09874 3/20 0.39
BRD4 O60885 1/20 0.39
PIK3CD O00329 1/20 0.39
CNR1 P21554 2/20 0.38
USP30 Q70CQ3 4/20 0.37
BTK Q06187 1/20 0.37
IDH1 O75874 1/20 0.36
VCP P55072 1/20 0.36

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
SCHEMBL1633353 0.84 PIM1 (0.42) PIM1PIM2PARP1BRD4PIK3CD
SCHEMBL27787945 0.77 PIM1 (0.43) PIM1PIM2PARP1BRD4PIK3CD
SCHEMBL3030442 0.74 PIM1 (0.40) PIM1PIM2BRD4
SCHEMBL3020648 0.71 BRD4 (0.39) PIM1PIM2BRD4
SCHEMBL3020645 0.71 BRD4 (0.39) PIM1PIM2BRD4
SCHEMBL13387485 0.71 BRD4 (0.38) PIM1PIM2BRD4
SCHEMBL13103261 0.71 BRD4 (0.31) BRD4
SCHEMBL3031799 0.69 BRD4 (0.37) PIM1PIM2BRD4PIK3CD
SCHEMBL3031795 0.69 BRD4 (0.37) PIM1PIM2BRD4PIK3CD
SCHEMBL3026724 0.69 BRD4 (0.38) BRD4

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-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO disclosed