SCHEMBL28754668

SCHEMBL28754668

Nc1cc(-c2cn(C3=NN(Cc4cccc5ccc6c7ccccc7ccc6c45)C(=O)CC3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.31
MAPK14 Q16539 4/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRAF P15056 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
ADORA2A P29274 2/20 0.30
ADORA1 P30542 2/20 0.30
ADORA2B P29275 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
FLT4 P35916 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL28757694 0.95 MAPK14 (0.32) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL27618510 0.92 MAPK14 (0.31) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL5353665 0.76 MAPK14 (0.43) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL1957450 0.69 CSNK1D (0.41) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL5354132 0.67 MAPK14 (0.38) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL1956243 0.64 CSNK1D (0.40) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL5348807 0.64 BUB1 (0.38) MAPK10KCNH2BRAFMAPK3MAPK1
SCHEMBL5356281 0.63 SMN1; SMN2 (0.38) MAPK10MAPK14KCNH2BRAFMAPK3
SCHEMBL5348658 0.63 CSNK1D (0.41) MAPK10MAPK14PDE4APDE4BPDE4D
SCHEMBL5352280 0.62 PDE3B (0.43) MAPK14KCNH2BRAFMAPK3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN claimed
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN claimed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN disclosed
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN disclosed