SCHEMBL28516641

SCHEMBL28516641

O=[N+]([O-])c1ccccc1Nc1cc(-c2cccnc2F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.44
EPAS1 Q99814 1/20 0.44
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
GSK3B P49841 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MITF O75030 1/20 0.41
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL28522100 0.83 CDK4 (0.44) MEN1KMT2ANPC1EPAS1MAPT
SCHEMBL4810409 0.75 MEN1 (0.71) MAPK10MEN1KMT2ANPC1EPAS1
SCHEMBL29744982 0.75 MEN1 (0.71) MAPK10MEN1KMT2ANPC1EPAS1
SCHEMBL4942989 0.75 ALDH1A1 (0.61) MAPK10MEN1KMT2ANPC1EPAS1
SCHEMBL16655716 0.75 MEN1 (0.52) MEN1KMT2ANPC1EPAS1MAPT
SCHEMBL12938273 0.70 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL6951149 0.69 MAPK1 (0.61) MEN1KMT2ANPC1EPAS1MAPT
SCHEMBL11900688 0.69 MEN1 (0.61) MAPK10MEN1KMT2ANPC1EPAS1
SCHEMBL29508937 0.69 PDE10A (0.56) MEN1KMT2ANPC1MAPTL3MBTL1
SCHEMBL251800 0.69 PDE10A (0.56) MEN1KMT2ANPC1MAPTL3MBTL1

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
CN-112341431-A Heterocyclic compounds as FGFR4 inhibitors 齐鲁制药有限公司 2021-02-09 CN disclosed