SCHEMBL12469863

SCHEMBL12469863

Nc1ccc(-c2ccc(-c3nc(Cl)c(Cl)[nH]3)c3c2CNC3=O)c(F)c1.Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.42
FLT3 P36888 1/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE7A Q13946 2/20 0.33
GRM2 Q14416 1/20 0.32
TYK2 P29597 1/20 0.31
KIT P10721 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GCGR P47871 1/20 0.31
MAPK14 Q16539 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
SCHEMBL12469667 0.84 BTK (0.43) BTKFLT3PIM1PIM2GRM2
SCHEMBL12469665 0.82 BTK (0.46) BTKFLT3PIM1PIM2PDE7A
SCHEMBL12469435 0.82 BTK (0.45) BTKFLT3PIM1PIM2PDE7A
SCHEMBL12469532 0.81 BTK (0.42) BTKFLT3PIM1PIM2PDE7A
SCHEMBL12469700 0.80 BTK (0.40) BTKFLT3PIM1PIM2GRM2
SCHEMBL12469588 0.80 BTK (0.43) BTKFLT3PIM1PIM2PDE7A
SCHEMBL12469585 0.80 BTK (0.45) BTKFLT3PDE7A
SCHEMBL12469409 0.80 BTK (0.43) BTKFLT3PIM1PIM2PDE7A
SCHEMBL12469189 0.79 BTK (0.46) BTKFLT3PIM1PIM2PDE3B
SCHEMBL12469852 0.79 BTK (0.42) BTKFLT3

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