SCHEMBL4380382

SCHEMBL4380382

COc1c(O)ccnc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
GAK O14976 3/20 0.35
RIPK2 O43353 2/20 0.35
NLK Q9UBE8 2/20 0.35
EPHB6 O15197 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
EPHA1 P21709 1/20 0.35
EPHA8 P29322 1/20 0.35
TXK P42681 1/20 0.35
COQ8A Q8NI60 1/20 0.35
STK16 O75716 1/20 0.35
EGFR P00533 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
IRAK3 Q9Y616 1/20 0.35
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4381004 0.79 SMN1; SMN2 (0.41) DYRK1AGAKRIPK2NLKEPHB6
SCHEMBL29954197 0.79 DYRK1A (0.38) DYRK1AGAKRIPK2NLKEPHB6
SCHEMBL23148039 0.78 DYRK1A (0.39) DYRK1AGAKRIPK2NLKEPHB6
SCHEMBL28026404 0.78 HTT (0.44) DYRK1AGAKRIPK2NLKEPHB6
SCHEMBL29813440 0.78 DYRK1A (0.39) DYRK1AGAKRIPK2NLKEPHB6
SCHEMBL25405415 0.76 LMNA (0.43) DYRK1AHTTHSD17B10TDP1GAA
SCHEMBL4370260 0.75 TDP1 (0.37) GAKMEN1KMT2ATDP1CA1
SCHEMBL29183711 0.74 TDP1 (0.39) HSD17B10MEN1KMT2ATDP1CA1
SCHEMBL6727082 0.73 CA12 (0.50) LCKHTTHSD17B10CA1CA2
SCHEMBL30975066 0.72 TDP1 (0.38) TDP1CA1CA2HPGDMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed