SCHEMBL30459797

SCHEMBL30459797

CN1CCN(c2cc(OC(F)F)c(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc2N)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.61
MKNK2 Q9HBH9 2/20 0.52
MKNK1 Q9BUB5 1/20 0.52
IGF1R P08069 3/20 0.50
CDK2 P24941 3/20 0.50
DYRK1B Q9Y463 2/20 0.50
DYRK3 O43781 1/20 0.50
CLK1 P49759 1/20 0.50
CLK2 P49760 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDK5R1 Q15078 1/20 0.50
DYRK2 Q92630 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK4 Q9NR20 1/20 0.50
FLT3 P36888 2/20 0.47
KCNH2 Q12809 1/20 0.45
CCNE1 P24864 1/20 0.45

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
SCHEMBL17683250 1.00 EGFR (0.61) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL18607262 0.91 EGFR (0.49) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL29974663 0.90 EGFR (0.75) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL30393974 0.90 EGFR (0.75) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL14663468 0.90 EGFR (0.75) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL17683307 0.87 EGFR (0.59) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL30459692 0.87 EGFR (0.59) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL30460261 0.86 EGFR (0.61) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL31367926 0.85 EGFR (0.72) EGFRMKNK2MKNK1IGF1RCDK2
SCHEMBL14719016 0.85 EGFR (0.72) EGFRMKNK2MKNK1IGF1RCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed