SCHEMBL12469437

SCHEMBL12469437

Nc1ccc(-c2ccc(-c3ncc[nH]3)c3c2CNC3=O)c(F)c1.Nc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.43
FLT3 P36888 1/20 0.39
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
CSF1R P07333 1/20 0.33
KDR P35968 1/20 0.32
TYK2 P29597 1/20 0.31

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
SCHEMBL12469189 0.93 BTK (0.46) BTKFLT3CSNK1A1TYRO3DYRK1B
Aniline SCHEMBL12469012 0.92 BTK (0.42) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469667 0.89 BTK (0.43) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469164 0.79 CSF1R (0.40) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469187 0.78 BTK (0.47) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469427 0.76 BTK (0.67) BTKFLT3PIM1PIM2CSF1R
SCHEMBL12469700 0.74 BTK (0.40) BTKFLT3PDE3BPDE3APIM1
SCHEMBL12469863 0.73 BTK (0.42) BTKFLT3PDE3BPDE3APIM1
SCHEMBL8536469 0.73 CSNK1A1 (0.41) CSNK1A1TYRO3DYRK1B
SCHEMBL12469532 0.73 BTK (0.42) BTKFLT3PDE3BPDE3APIM1

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