SCHEMBL29593244

SCHEMBL29593244

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2N[C@H](CO)CC3)ccc1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.70
MAPK11 Q15759 5/20 0.70
CYP2C9 P11712 1/20 0.70
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
MAPK12 P53778 4/20 0.39
MAPK14 Q16539 4/20 0.39
HRH3 Q9Y5N1 3/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PLAT P00750 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4240627 1.00 MAPK13 (0.70) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL13928965 1.00 MAPK13 (0.70) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4245583 0.91 MAPK11 (0.77) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4760829 0.91 MAPK11 (0.77) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4242581 0.84 MAPK13 (0.54) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4240657 0.84 MAPK13 (0.54) MAPK13MAPK11CYP2C9FGFR1FGFR2
SCHEMBL4242576 0.83 MAPK13 (0.69) MAPK13MAPK11CYP2C9FGFR1FGFR2
As1940477 SCHEMBL4237689 0.82 MAPK13 (1.00) MAPK13MAPK11CYP2C9FGFR1FGFR2
As1940477 SCHEMBL20873909 0.82 MAPK13 (1.00) MAPK13MAPK11CYP2C9FGFR1FGFR2
As1940477 SCHEMBL29370514 0.82 MAPK13 (1.00) MAPK13MAPK11CYP2C9FGFR1FGFR2

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-114748622-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-09-24 CN disclosed
CN-114732910-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-08-23 CN disclosed
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 CN disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 CN disclosed