SCHEMBL28711237

SCHEMBL28711237

COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(C(=O)NO)c3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.72
ITK Q08881 5/20 0.72
BTK Q06187 4/20 0.72
JAK2 O60674 1/20 0.72
LYN P07948 1/20 0.72
TEC P42680 1/20 0.72
TXK P42681 1/20 0.72
BMX P51813 1/20 0.72
JAK3 P52333 1/20 0.72
CD69 Q07108 1/20 0.72
SYK P43405 5/20 0.68
CCNT1 O60563 2/20 0.59
CCNE1 P24864 2/20 0.59
CDK2 P24941 2/20 0.59
CDK9 P50750 2/20 0.59

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
SCHEMBL30843981 1.00 EGFR (0.72) EGFRITKBTKJAK2LYN
SCHEMBL29411924 0.93 EGFR (0.72) EGFRITKBTKJAK2LYN
SCHEMBL28718244 0.93 EGFR (0.72) EGFRITKBTKJAK2LYN
SCHEMBL12518393 0.92 EGFR (0.73) EGFRITKBTKJAK2LYN
SCHEMBL12518394 0.92 EGFR (0.73) EGFRITKBTKJAK2LYN
SCHEMBL28720308 0.90 EGFR (0.65) EGFRITKBTKJAK2LYN
SCHEMBL16178656 0.88 EGFR (0.69) EGFRITKBTKJAK2LYN
SCHEMBL29431539 0.88 EGFR (0.69) EGFRITKBTKJAK2LYN
SCHEMBL28960554 0.88 EGFR (0.66) EGFRITKBTKJAK2LYN
SCHEMBL12518395 0.88 EGFR (0.68) EGFRITKBTKJAK2LYN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181161-B (2- ((substituted oxy) phenyl) amino) pyrimidin-4-yl) aminobenzoyl derivative and preparation method and application thereof 南通大学 2024-02-27 CN claimed
CN-114181161-A (2- ((substituted oxy) phenyl) amino) pyrimidine-4-yl) aminobenzoyl derivative and preparation method and application thereof 南通大学 2022-03-15 CN claimed
CN-114181161-B (2- ((substituted oxy) phenyl) amino) pyrimidin-4-yl) aminobenzoyl derivative and preparation method and application thereof 南通大学 2024-02-27 CN disclosed
CN-114181161-A (2- ((substituted oxy) phenyl) amino) pyrimidine-4-yl) aminobenzoyl derivative and preparation method and application thereof 南通大学 2022-03-15 CN disclosed