SCHEMBL5797429

SCHEMBL5797429

Cc1cccc(-c2nc(N3CCC(N(C)C)C3)sc2-c2ccc(=O)n(-c3ccccc3C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
BTK Q06187 2/20 0.38
MRGPRX2 Q96LB1 2/20 0.38
MAPK10 P53779 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK13 O15264 4/20 0.35
MAPK11 Q15759 4/20 0.35
MAPK12 P53778 3/20 0.35
MAPK14 Q16539 3/20 0.35
HTR6 P50406 4/20 0.35
HTR1D P28221 2/20 0.35
HTR3A P46098 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
HTR1A P08908 1/20 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
SCHEMBL5796363 0.91 SLC5A1 (0.37) MAPK8BTKMRGPRX2MAPK10FGFR1
SCHEMBL5795738 0.88 MAPK13 (0.46) MAPK8BTKMRGPRX2MAPK10FGFR1
SCHEMBL5796356 0.85 MAPK13 (0.40) MAPK8BTKMRGPRX2MAPK10FGFR1
SCHEMBL5798480 0.83 MAPK13 (0.40) MAPK8BTKMRGPRX2MAPK10FGFR1
SCHEMBL5795724 0.83 MAPK13 (0.37) MAPK8BTKMRGPRX2MAPK10FGFR1
SCHEMBL5796380 0.79 MAPK11 (0.39) MAPK8BTKMRGPRX2MAPK10PIM1
SCHEMBL5813023 0.79 CYP2C9 (0.37) MAPK8BTKMRGPRX2MAPK10PIM1
SCHEMBL5799224 0.79 MAPK13 (0.37) FGFR1FGFR2FGFR3PIM1PIM3
SCHEMBL5817772 0.78 MAPK13 (0.40) MAPK8BTKMRGPRX2MAPK10PIM1
SCHEMBL5795722 0.77 MCHR1 (0.36) MAPK8BTKMRGPRX2MAPK10PIM1

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