SCHEMBL4694754

SCHEMBL4694754

CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.66
CAMK2D Q13557 4/20 0.66
IKBKB O14920 2/20 0.65
GRK5 P34947 1/20 0.58

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
SCHEMBL18613364 0.85 CAMK2D (0.86) FYNCAMK2DGRK5
SCHEMBL4691093 0.85 FYN (0.71) FYN
SCHEMBL2951889 0.83 FYN (0.63) FYN
SCHEMBL1054936 0.80 IKBKB (0.80) FYNIKBKB
SCHEMBL20485648 0.79 FYN (1.00) FYNCAMK2DGRK5
SCHEMBL4695467 0.79 FYN (0.72) FYNCAMK2D
SCHEMBL30521754 0.78 FYN (1.00) FYNCAMK2DGRK5
SCHEMBL16331423 0.78 FYN (1.00) FYNCAMK2DGRK5
SCHEMBL2942616 0.78 PIM1 (0.76) FYN
SCHEMBL18613359 0.78 FYN (1.00) FYNCAMK2DGRK5

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