SCHEMBL5797394

SCHEMBL5797394

COc1ccccc1-n1nc(-c2sc(N3CCC(N(C)C)C3)nc2-c2ccccc2)cc(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
BTK Q06187 2/20 0.40
MRGPRX2 Q96LB1 2/20 0.40
MAPK10 P53779 1/20 0.40
ALK Q9UM73 1/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ADRA1B P35368 4/20 0.37
HTR1D P28221 2/20 0.37
HTR3A P46098 2/20 0.37
HTR6 P50406 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NTSR1 P30989 1/20 0.36
ADRA1A P35348 3/20 0.35

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
SCHEMBL5799224 0.83 MAPK13 (0.37) NTSR1MAP4K1KMT2AMEN1MAPT
SCHEMBL5797441 0.78 MAPK8 (0.42) MAPK8BTKMRGPRX2MAPK10ADRA1B
SCHEMBL5795722 0.77 MCHR1 (0.36) MAPK8BTKMRGPRX2MAPK10ADRA1B
SCHEMBL5795738 0.77 MAPK13 (0.46) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5797429 0.76 MAPK8 (0.38) MAPK8BTKMRGPRX2MAPK10ADRA1B
SCHEMBL5798480 0.74 MAPK13 (0.40) MAPK8BTKMRGPRX2MAPK10MAPT
SCHEMBL5796363 0.74 SLC5A1 (0.37) MAPK8BTKMRGPRX2MAPK10ADRA1B
SCHEMBL5796380 0.73 MAPK11 (0.39) MAPK8BTKMRGPRX2MAPK10SMN1; SMN2
SCHEMBL5795724 0.72 MAPK13 (0.37) MAPK8BTKMRGPRX2MAPK10MAPT
SCHEMBL5813023 0.72 CYP2C9 (0.37) MAPK8BTKMRGPRX2MAPK10SMN1; SMN2

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-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed