SCHEMBL12469688

SCHEMBL12469688

Nc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c3c2CNC3=O)c(F)c1.Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.48
BTK Q06187 11/20 0.47
CSF1R P07333 1/20 0.36
DGAT1 O75907 5/20 0.35
RAF1 P04049 1/20 0.34

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
SCHEMBL12469427 0.82 BTK (0.67) FLT3BTKCSF1R
SCHEMBL12469667 0.82 BTK (0.43) FLT3BTK
SCHEMBL12469863 0.79 BTK (0.42) FLT3BTK
SCHEMBL12469435 0.79 BTK (0.45) FLT3BTKCSF1R
SCHEMBL12469700 0.78 BTK (0.40) FLT3BTK
SCHEMBL12469665 0.77 BTK (0.46) FLT3BTKCSF1R
SCHEMBL12469189 0.77 BTK (0.46) FLT3BTKCSF1R
SCHEMBL12469532 0.77 BTK (0.42) FLT3BTKCSF1R
SCHEMBL12469647 0.76 BTK (0.38) FLT3BTK
SCHEMBL12469585 0.76 BTK (0.45) FLT3BTKCSF1R

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
WO-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed