SCHEMBL3825985

SCHEMBL3825985

O=C(NC1CCC(O)CC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)C=C4)n3n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.52
CDKL5 O76039 1/20 0.52
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
PDE4B Q07343 1/20 0.39
USP30 Q70CQ3 2/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 2/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL1952690 0.91 MET (0.52) METCDKL5ALOX5APFEN1PDE4B
SCHEMBL1952687 0.91 MET (0.52) METCDKL5ALOX5APFEN1PDE4B
SCHEMBL1953122 0.89 MET (0.54) METCDKL5ALOX5APFEN1PDE4B
SCHEMBL17835336 0.85 MET (0.52) METCDKL5ALOX5APFEN1PDE4B
SCHEMBL3827962 0.85 MET (0.53) METCDKL5
SCHEMBL837214 0.84 MET (0.54) METCDKL5ALOX5APFEN1PDE4B
SCHEMBL837213 0.84 MET (0.54) METCDKL5ALOX5APFEN1PDE4B
SCHEMBL1949704 0.82 MET (0.78) METCDKL5KCNH2
SCHEMBL1949702 0.82 MET (0.78) METCDKL5KCNH2
SCHEMBL837321 0.82 MET (0.55) METCDKL5PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099447-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-09-16 EP disclosed
WO-2008064157-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-05-29 WO disclosed