SCHEMBL28876162

SCHEMBL28876162

O=C(NO)c1ccc(Nc2nc(Nc3ccccc3N3CCOCC3)ncc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.59
BTK Q06187 1/20 0.59
SYK P43405 1/20 0.58
AURKA O14965 12/20 0.56
AURKB Q96GD4 4/20 0.56
EGFR P00533 1/20 0.54
BRD4 O60885 2/20 0.54
CDK2 P24941 1/20 0.53
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
HDAC3 O15379 1/20 0.49
JAK2 O60674 1/20 0.49
NCOR1 O75376 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL28876161 0.90 HDAC3 (0.53) FLT3BTKSYKAURKAAURKB
SCHEMBL28691437 0.88 SYK (0.57) FLT3BTKSYKAURKAAURKB
SCHEMBL28876167 0.87 FLT3 (0.66) FLT3BTKAURKAAURKBEGFR
SCHEMBL28876156 0.87 SYK (0.78) FLT3BTKSYKAURKAAURKB
SCHEMBL28707054 0.82 FLT3 (0.51) FLT3BTKSYKAURKAAURKB
SCHEMBL28691453 0.81 SYK (0.54) FLT3BTKSYKAURKAAURKB
SCHEMBL28876164 0.81 FLT3 (0.85) FLT3BTKSYKAURKAAURKB
SCHEMBL29463619 0.80 SYK (0.69) FLT3BTKSYKAURKAAURKB
SCHEMBL28876155 0.80 SYK (0.69) FLT3BTKSYKAURKAAURKB
SCHEMBL28711742 0.79 FLT3 (0.60) FLT3BTKSYKAURKAAURKB

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
CN-114230524-A (5-fluoro-2-anilinopyrimidin-4-yl) amino-N-hydroxybenzamide derivative and preparation method and application thereof 南通大学 2022-03-25 CN claimed
CN-114230524-A (5-fluoro-2-anilinopyrimidin-4-yl) amino-N-hydroxybenzamide derivative and preparation method and application thereof 南通大学 2022-03-25 CN disclosed