SCHEMBL12469667

SCHEMBL12469667

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.43
FLT3 P36888 1/20 0.39
GRM2 Q14416 1/20 0.34
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
F2RL1 P55085 3/20 0.33
KIT P10721 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL12469189 0.96 BTK (0.46) BTKFLT3CSNK1A1TYRO3DYRK1B
Aniline SCHEMBL12469012 0.93 BTK (0.42) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469437 0.89 BTK (0.43) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469700 0.85 BTK (0.40) BTKFLT3GRM2PIM1PIM2
SCHEMBL12469863 0.84 BTK (0.42) BTKFLT3GRM2PIM1PIM2
SCHEMBL12469532 0.83 BTK (0.42) BTKFLT3GRM2PIM1PIM2
SCHEMBL12469435 0.82 BTK (0.45) BTKFLT3GRM2PIM1PIM2
SCHEMBL12469164 0.82 CSF1R (0.40) BTKFLT3CSNK1A1TYRO3DYRK1B
SCHEMBL12469688 0.82 FLT3 (0.48) BTKFLT3
SCHEMBL12469647 0.81 BTK (0.38) BTKFLT3GRM2KITPDE3B

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