SCHEMBL4694423

SCHEMBL4694423

COc1ccc(-c2cnn3ccc(NC4CCC(O)CC4)nc23)cn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.69
PIM1 P11309 14/20 0.66
PIM2 Q9P1W9 12/20 0.62
FLT3 P36888 4/20 0.59
FYN P06241 4/20 0.52
ACVR2A P27037 1/20 0.49
TGFBR1 P36897 1/20 0.49
TGFBR2 P37173 1/20 0.49

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
SCHEMBL4338906 0.88 PIK3CG (0.78) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL1424084 0.85 PIK3CG (0.71) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL1424085 0.85 PIK3CG (0.71) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL4328408 0.83 PIK3CG (0.72) PIK3CGPIM1PIM2FLT3
SCHEMBL4340311 0.83 PIK3CG (0.71) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL4692526 0.83 PIM1 (0.73) PIK3CGPIM1PIM2FLT3
SCHEMBL4342776 0.82 PIK3CG (1.00) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL4339100 0.82 PIM1 (0.72) PIK3CGPIM1PIM2FLT3
SCHEMBL4332530 0.82 PIM1 (0.72) PIK3CGPIM1PIM2FLT3
SCHEMBL4333807 0.81 PIM1 (0.68) PIK3CGPIM1PIM2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed