SCHEMBL13537967

SCHEMBL13537967

COc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(/C=C2\SC(=O)NC2=O)cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 6/20 0.72
▸ PIM3 Q86V86 6/20 0.72
▸ PIM2 Q9P1W9 6/20 0.72
▸ GSK3B P49841 3/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PHKG2 P15735 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ NEK4 P51957 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ CSNK1G2 P78368 1/20 0.45
▸ CAMK2D Q13557 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ MINK1 Q8N4C8 1/20 0.45
▸ HIPK4 Q8NE63 1/20 0.45

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
SCHEMBL2420536 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL12282566 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL2420531 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL2423398 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL2420533 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL2420529 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL2423404 0.94 PIM1 (0.75) PIM1PIM3PIM2PTPN1KDM4D
SCHEMBL2423456 0.84 PIM1 (0.60) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL2423461 0.84 PIM1 (0.60) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL2423457 0.84 PIM1 (0.60) PIM1PIM3PIM2GSK3BCDC7

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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