Acetonitrile

Acetonitrile

SCHEMBL7707689

CC#N.Cn1cncc1CCNc1nccc(C(C#N)c2nc3ccccc3s2)n1.N#CC(c1ccnc(NCc2ccccc2)n1)c1nc2ccccc2s1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.67
MAPK9 P45984 10/20 0.67
MAPK8 P45983 2/20 0.67
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
LCK P06239 1/20 0.33
PIK3CA P42336 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL2886459 0.94 MAPK10 (0.70) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL2881183 0.83 MAPK10 (0.76) MAPK10MAPK9MAPK8LCKPIK3CA
SCHEMBL4022971 0.83 MAPK10 (0.84) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL21067982 0.80 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL186278 0.80 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL29432586 0.80 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
Acetonitrile SCHEMBL7707016 0.80 MAPK10 (0.66) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL4020500 0.80 MAPK10 (0.73) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL4022963 0.79 MAPK10 (0.84) MAPK10MAPK9MAPK8MKNK1MKNK2
Acetonitrile SCHEMBL7701908 0.79 MAPK10 (0.66) MAPK10MAPK9MAPK8MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed