SCHEMBL1848896

SCHEMBL1848896

CC(C)(C)C(NC(=O)O)[C@H]1CC[C@H](c2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 20/20 0.61
CSNK2B P67870 20/20 0.61
CDC7 O00311 14/20 0.61
CSNK2A1 P68400 14/20 0.61
CSNK2A2 P19784 9/20 0.45
PIM3 Q86V86 9/20 0.45
PIM2 Q9P1W9 9/20 0.45
CYP1A2 P05177 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
SCHEMBL4122752 0.81 PIM1 (0.67) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL4122741 0.81 PIM1 (0.67) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL1853586 0.80 CSNK2B (0.64) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL4280976 0.79 PIM1 (0.71) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL4122747 0.79 PIM1 (0.67) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL4122326 0.79 CSNK2B (0.62) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL1848897 0.78 PIM1 (0.61) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL1853552 0.78 PIM1 (0.78) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL1851552 0.77 PIM1 (0.71) PIM1CSNK2BCDC7CSNK2A1CSNK2A2
SCHEMBL4279018 0.77 PIM1 (0.70) PIM1CSNK2BCDC7CSNK2A1CSNK2A2

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
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed