SCHEMBL27833136

SCHEMBL27833136

CC(C)(Cc1ccc(CN2CCNCC2(C)C)cn1)OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
AOC3 Q16853 1/20 0.33

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
SCHEMBL27914665 0.83 SCN9A (0.43)
SCHEMBL3318397 0.81 FLT3 (0.42) FLT3MERTKGAS6
SCHEMBL1126385 0.76 NAMPT (0.46) FLT3MERTKGAS6
SCHEMBL27851370 0.76 KMT2A (0.41)
SCHEMBL27833215 0.74
SCHEMBL3318399 0.74 FLT3 (0.42) FLT3MERTKGAS6
SCHEMBL28791680 0.73 CYP3A4 (0.36) AOC3
SCHEMBL27833137 0.73 FLT3 (0.39) FLT3MERTKGAS6AOC3
SCHEMBL23106917 0.72 FLT3 (0.43) FLT3MERTKGAS6
SCHEMBL27603372 0.72 CYP3A4 (0.35) AOC3

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
CN-102036963-B Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2013-08-21 CN disclosed
CN-102036963-A Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2011-04-27 CN disclosed