SCHEMBL13538032

SCHEMBL13538032

C=C(O)c1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(/C=C2\SC(=O)NC2=O)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 7/20 0.74
▸ PIM2 Q9P1W9 7/20 0.74
▸ PIM3 Q86V86 6/20 0.74
▸ POLB P06746 1/20 0.40
▸ GPR119 Q8TDV5 3/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ CTSK P43235 2/20 0.36
▸ F10 P00742 1/20 0.35
▸ MAP4K4 O95819 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
SCHEMBL16468722 0.93 PIM1 (0.77) PIM1PIM2PIM3POLBGPR119
SCHEMBL12282933 0.93 PIM1 (0.77) PIM1PIM2PIM3POLBGPR119
SCHEMBL16468720 0.93 PIM1 (0.77) PIM1PIM2PIM3POLBGPR119
SCHEMBL2426642 0.89 PIM2 (0.69) PIM1PIM2PIM3POLBBTK
SCHEMBL2426638 0.89 PIM2 (0.69) PIM1PIM2PIM3POLBBTK
SCHEMBL2426644 0.89 PIM2 (0.69) PIM1PIM2PIM3POLBBTK
SCHEMBL2426637 0.89 PIM2 (0.69) PIM1PIM2PIM3POLBBTK
SCHEMBL2420001 0.86 PIM2 (0.68) PIM1PIM2PIM3BTKF10
SCHEMBL2426038 0.86 PIM2 (0.68) PIM1PIM2PIM3BTKF10
SCHEMBL2429998 0.86 PIM1 (0.75) PIM1PIM2PIM3

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-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
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