SCHEMBL30730929

SCHEMBL30730929

CCCOc1cc(N)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 4/20 0.43
ALK Q9UM73 4/20 0.43
FGFR3 P22607 10/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAD52 P43351 1/20 0.42
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
FGFR4 P22455 2/20 0.41
KDR P35968 2/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL10127415 0.91 FGFR3 (0.50) EML4ALKFGFR3MAPTKDM4E
SCHEMBL29399427 0.90 FGFR3 (0.44) EML4ALKFGFR3MAPTKDM4E
SCHEMBL10036386 0.90 FGFR3 (0.42) EML4ALKFGFR3MAPTKDM4E
SCHEMBL328446 0.90 FGFR3 (0.44) EML4ALKFGFR3MAPTKDM4E
SCHEMBL27038804 0.89 EML4 (0.42) EML4ALKFGFR3MAPTKDM4E
SCHEMBL10036123 0.88 FGFR3 (0.41) EML4ALKFGFR3MAPTKDM4E
SCHEMBL30879147 0.88 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL10036431 0.84 FGFR3 (0.51) EML4ALKFGFR3MAPTKDM4E
SCHEMBL16848693 0.82 CD63 (0.43) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL29397031 0.81 KDM4E (0.44) FGFR3MAPTKDM4ERAD52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017258-A1 EGFR SMALL MOLECULE INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2024-01-25 WO disclosed