SCHEMBL28757694

SCHEMBL28757694

Nc1cc(-c2cn(C3=NN(Cc4cccc5c4ccc4c6ccccc6ccc54)C(=O)CC3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.32
KCNH2 Q12809 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK10 P53779 4/20 0.32
CSNK1D P48730 2/20 0.32
CSNK1E P49674 2/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
ADORA2B P29275 1/20 0.32
GRM2 Q14416 1/20 0.32
MAPK13 O15264 5/20 0.31
MAPK12 P53778 5/20 0.31
MAPK11 Q15759 5/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
BRAF P15056 2/20 0.30
SRC P12931 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
SCHEMBL28754668 0.95 MAPK10 (0.31) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL27618510 0.91 MAPK14 (0.31) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL5353665 0.77 MAPK14 (0.43) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL1957450 0.70 CSNK1D (0.41) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL5354132 0.68 MAPK14 (0.38) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL1956243 0.66 CSNK1D (0.40) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL5348807 0.65 BUB1 (0.38) KCNH2MAPK10CSNK1DCSNK1EROCK2
SCHEMBL5356281 0.65 SMN1; SMN2 (0.38) MAPK14KCNH2MAPK10BRAFMAPK3
SCHEMBL5348658 0.64 CSNK1D (0.41) MAPK14KCNH2PDE4APDE4BPDE4D
SCHEMBL1650894 0.64 MAPK14 (0.50) MAPK14PDE4APDE4BMAPK10CSNK1D

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