SCHEMBL28679540

SCHEMBL28679540

CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cccc(C(F)(F)F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.46
SYK P43405 4/20 0.45
RXFP1 Q9HBX9 1/20 0.43
RORC P51449 5/20 0.42
ACVR1 Q04771 8/20 0.42
GSK3A P49840 4/20 0.42
GSK3B P49841 4/20 0.42
CDK8 P49336 4/20 0.41
FLT3 P36888 3/20 0.41
RET P07949 3/20 0.41
RPS6KA3 P51812 2/20 0.41
FGFR1 P11362 2/20 0.41
JAK2 O60674 2/20 0.41
NTRK1 P04629 2/20 0.41
JAK3 P52333 2/20 0.41
MAP2K1 Q02750 2/20 0.41
MET P08581 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
NTRK3 Q16288 1/20 0.41

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
SCHEMBL28665642 0.88 SYK (0.47) SYKRXFP1RORCCDK1KDR
SCHEMBL20577989 0.84 CBLB (0.50) RXFP1FLT3IRAK4
SCHEMBL28664640 0.79 RXFP1 (0.45) SYKRXFP1GSK3AGSK3BCLK4
SCHEMBL25255289 0.75 LCK (0.54) DYRK1A
SCHEMBL31114701 0.75 LCK (0.54) DYRK1A
SCHEMBL20578118 0.74 RXFP1 (0.60) RXFP1NTRK1KDR
SCHEMBL20578021 0.74 LMNA (0.46) RORC
SCHEMBL24393103 0.73 SYK (0.44) SYKRORCCDK1AURKBMAPKAPK2
SCHEMBL20577956 0.73 RXFP1 (0.48) RXFP1RORCKDR
SCHEMBL20577982 0.73 GRM4 (0.42) SYKRXFP1RORCKDR

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
CN-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 CN disclosed