SCHEMBL30459764

SCHEMBL30459764

CCN(CC)CCN(C)c1cc(OC)c(Nc2nccc(-c3c[nH]c4ccccc34)n2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.63
KCNH2 Q12809 4/20 0.63
FLT3 P36888 2/20 0.56
MKNK1 Q9BUB5 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
IGF1R P08069 2/20 0.49
MLNR O43193 1/20 0.47
KDM1A O60341 1/20 0.47
ABCB11 O95342 1/20 0.47
ERBB2 P04626 1/20 0.47
INSR P06213 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
NQO2 P16083 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
ERBB3 P21860 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL17683287 1.00 EGFR (0.63) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL30120921 0.93 EGFR (0.71) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL14663465 0.93 EGFR (0.71) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL30378140 0.93 EGFR (0.71) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL19210256 0.90 EGFR (0.65) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL30459742 0.87 EGFR (0.58) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL17683299 0.87 EGFR (0.58) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL17683180 0.87 EGFR (0.61) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL19210245 0.87 EGFR (0.61) EGFRKCNH2FLT3MKNK1MKNK2
SCHEMBL19210246 0.87 EGFR (0.61) EGFRKCNH2FLT3MKNK1MKNK2

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