SCHEMBL5797441

SCHEMBL5797441

Cc1cc(-c2sc(N3CCC(N(C)C)C3)nc2-c2ccccc2)n[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
BTK Q06187 2/20 0.42
MRGPRX2 Q96LB1 2/20 0.42
MAPK10 P53779 1/20 0.42
HTR6 P50406 4/20 0.41
HTR1D P28221 2/20 0.41
HTR3A P46098 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1B P28222 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 2/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MCHR1 Q99705 4/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL5797394 0.78 MAPK8 (0.40) MAPK8BTKMRGPRX2MAPK10HTR6
SCHEMBL5799269 0.74 CHEK2 (0.36) MAPK8BTKMRGPRX2HTR6HTR1D
SCHEMBL5797429 0.73 MAPK8 (0.38) MAPK8BTKMRGPRX2MAPK10HTR6
SCHEMBL5812348 0.73 MCHR1 (0.41) HTR6HTR2BPIM1PIM3PIM2
SCHEMBL5796363 0.71 SLC5A1 (0.37) MAPK8BTKMRGPRX2MAPK10HTR6
SCHEMBL5795957 0.70 MCHR1 (0.37) MAPK8BTKMRGPRX2HTR6HTR1D
SCHEMBL5798480 0.69 MAPK13 (0.40) MAPK8BTKMRGPRX2MAPK10PIM1
SCHEMBL5795724 0.69 MAPK13 (0.37) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL5796380 0.68 MAPK11 (0.39) MAPK8BTKMRGPRX2MAPK10PIM1
SCHEMBL5822248 0.68 KDM4E (0.41) MAPK8BTKMRGPRX2MAPK10HTR6

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