SCHEMBL28664640

SCHEMBL28664640

CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 1/20 0.42
KDR P35968 4/20 0.42
BRAF P15056 3/20 0.42
SYK P43405 4/20 0.41
TNIK Q9UKE5 1/20 0.41
CDK4 P11802 2/20 0.40
CDK2 P24941 2/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
NEK4 P51957 1/20 0.40
MAP4K2 Q12851 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40

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
SCHEMBL20577943 0.84 RXFP1 (0.47) RXFP1KDRBRAFSYKHIPK4
SCHEMBL28679540 0.79 TAS2R14 (0.46) RXFP1KDRSYKCDK2CLK2
SCHEMBL29448791 0.77 RXFP1 (0.55) RXFP1KDR
SCHEMBL20578118 0.76 RXFP1 (0.60) RXFP1ALDH1A1KDRBRAFMAPT
SCHEMBL20578021 0.76 LMNA (0.46) ALDH1A1BRAF
SCHEMBL20577956 0.76 RXFP1 (0.48) RXFP1KDRBRAFPOLB
SCHEMBL28175979 0.75 RXFP1 (0.54) RXFP1KDRAURKBPOLBMAPT
SCHEMBL20577759 0.75 RXFP1 (0.44) RXFP1KDRBRAFSYKAURKB
SCHEMBL20577777 0.74 RXFP1 (0.53) RXFP1KDR
SCHEMBL20578150 0.74 RXFP1 (0.53) RXFP1

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