SCHEMBL28876155

SCHEMBL28876155

O=C(NO)c1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.69
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
CCNT1 O60563 3/20 0.62
CCNE1 P24864 3/20 0.62
CDK2 P24941 3/20 0.62
CDK9 P50750 3/20 0.62
BTK Q06187 2/20 0.62
FLT3 P36888 1/20 0.62
PKMYT1 Q99640 2/20 0.58
AURKA O14965 1/20 0.58
AURKB Q96GD4 1/20 0.58
BRD4 O60885 3/20 0.58
EGFR P00533 2/20 0.56
IGF1R P08069 1/20 0.56
TBK1 Q9UHD2 1/20 0.55
STAT6 P42226 1/20 0.54
JAK2 O60674 1/20 0.54

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
SCHEMBL29463619 1.00 SYK (0.69) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL29514593 0.92 FLT3 (0.71) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL28876151 0.92 BRD4 (0.59) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL29463618 0.92 BRD4 (0.59) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL28876156 0.91 SYK (0.78) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL28876170 0.90 BRD4 (0.72) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL29463626 0.90 BRD4 (0.72) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL29389624 0.88 SYK (0.70) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL28691450 0.88 SYK (0.70) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL29463622 0.88 BRD4 (0.59) SYKCCNT1CCNE1CDK2CDK9

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