SCHEMBL4381004

SCHEMBL4381004

COc1ccnc(C(F)(F)F)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
DYRK1A Q13627 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RUNX1 Q01196 1/20 0.39
GAK O14976 3/20 0.39
RIPK2 O43353 2/20 0.39
NLK Q9UBE8 2/20 0.39
EPHB6 O15197 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
EPHA1 P21709 1/20 0.39
EPHA8 P29322 1/20 0.39
TXK P42681 1/20 0.39
COQ8A Q8NI60 1/20 0.39
STK16 O75716 1/20 0.38
EGFR P00533 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
BMP2K Q9NSY1 1/20 0.38

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
SCHEMBL11916045 0.82 FGFR2 (0.38) SMN1; SMN2RUNX1GAKRIPK2NLK
SCHEMBL4380382 0.79 DYRK1A (0.39) TSHRDYRK1AGAAHPGDGAK
SCHEMBL29813440 0.79 DYRK1A (0.39) TSHRDYRK1AGAAHPGDGAK
SCHEMBL23148039 0.79 DYRK1A (0.39) SMN1; SMN2TSHRDYRK1AGAAHPGD
SCHEMBL28026404 0.79 HTT (0.44) DYRK1AGAAHPGDGAKRIPK2
SCHEMBL29954197 0.77 DYRK1A (0.38) TSHRDYRK1AGAAHPGDGAK
SCHEMBL31214552 0.75 DYRK1A (0.37) SMN1; SMN2TSHRDYRK1AHTTHSD17B10
SCHEMBL31214523 0.75 DYRK1A (0.37) SMN1; SMN2TSHRDYRK1AHPGDHTT
SCHEMBL4372362 0.74 TSHR (0.44) SMN1; SMN2TSHRDYRK1AHTTHSD17B10
SCHEMBL25405415 0.74 LMNA (0.43) DYRK1AGAAHTTHSD17B10KDM4E

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