SCHEMBL12856424

SCHEMBL12856424

CNc1cn(CC(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.37
LRRK2 Q5S007 5/20 0.36
CYP1A2 P05177 3/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MYLK2 Q9H1R3 1/20 0.31
CSF1R P07333 1/20 0.31
MARK4 Q96L34 1/20 0.30

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
SCHEMBL14996622 0.77 GAA (0.31) IRAK4LMNAPOLBPDE10A
SCHEMBL23367887 0.74 CYP1A2 (0.41) IRAK4LRRK2CYP1A2LMNAPOLB
SCHEMBL12871753 0.74 GRIA2 (0.35) LMNAPOLB
SCHEMBL12859196 0.74
SCHEMBL19987817 0.73 KDM4E (0.39) IRAK4PDE10A
SCHEMBL18078792 0.73 IRAK4 (0.30) IRAK4POLB
SCHEMBL26389004 0.67
SCHEMBL30206254 0.66 ALDH1A1 (0.49) LRRK2LMNAPOLBPDE10AMYLK2
SCHEMBL22423423 0.66 DGAT1 (0.31)
SCHEMBL14996621 0.64 PDE10A (0.34) LRRK2PDE10AMYLK2CSF1RMARK4

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
EP-2281810-A1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Sinochem Corporation (CN) 2011-02-09 EP disclosed