SCHEMBL30460261

SCHEMBL30460261

CN1CCN(c2cc(OC(F)F)c(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc2C=CC(N)=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.61
FLT3 P36888 1/20 0.47
IGF1R P08069 2/20 0.46
KCNH2 Q12809 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
DYRK3 O43781 1/20 0.45
CDK2 P24941 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK5R1 Q15078 1/20 0.45
DYRK2 Q92630 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK4 Q9NR20 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MLNR O43193 1/20 0.44
KDM1A O60341 1/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL30539153 0.91 EGFR (0.61) EGFRFLT3IGF1RKCNH2MKNK2
SCHEMBL30459797 0.86 EGFR (0.61) EGFRFLT3IGF1RKCNH2MKNK2
SCHEMBL17683250 0.86 EGFR (0.61) EGFRFLT3IGF1RKCNH2MKNK2
SCHEMBL30459692 0.85 EGFR (0.59) EGFRFLT3IGF1RMKNK2MKNK1
SCHEMBL17683307 0.85 EGFR (0.59) EGFRFLT3IGF1RMKNK2MKNK1
SCHEMBL17683244 0.84 EGFR (0.84) EGFRIGF1RKCNH2MLNRKDM1A
SCHEMBL30459884 0.84 EGFR (0.84) EGFRIGF1RKCNH2MLNRKDM1A
SCHEMBL30459855 0.81 EGFR (0.57) EGFRIGF1RKCNH2MKNK2MKNK1
SCHEMBL20357527 0.81 EGFR (0.41) EGFRKCNH2MKNK2MKNK1MLNR
SCHEMBL18607262 0.77 EGFR (0.49) EGFRFLT3IGF1RKCNH2MKNK2

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