Acetonitrile

Acetonitrile

SCHEMBL7707455

CC#N.N#CCC1C=CN=C(NCc2cccnc2)N1c1nc2ccccc2s1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.40
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
RAB9A P51151 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PGK1 P00558 1/20 0.35
GSK3B P49841 1/20 0.34
CYP3A4 P08684 4/20 0.34
GAA P10253 1/20 0.34
RUNX1 Q01196 1/20 0.34
CBFB Q13951 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL4197389 0.97 ILK (0.41) ILKHTTMAPK8MAPK9MAPK10
SCHEMBL1005758 0.89 MAPK8 (0.46) ILKHTTMAPK8MAPK9MAPK10
SCHEMBL7706938 0.88 KMT2A (0.37) HTTRAB9AALDH1A1KDM4ECYP3A4
SCHEMBL7701891 0.85 MAPK8 (0.41) ILKHTTMAPK8MAPK9MAPK10
Acetonitrile SCHEMBL7707679 0.83 RAB9A (0.35) HTTRAB9AALDH1A1KDM4EGAA
SCHEMBL4192495 0.81 KDM4E (0.35) HTTRAB9AALDH1A1KDM4EGAA
SCHEMBL4192472 0.81 NPC1 (0.46) MAPK8MAPK9MAPK10RAB9AALDH1A1
SCHEMBL4187924 0.81 RAB9A (0.36) HTTRAB9AALDH1A1KDM4EGAA
SCHEMBL4199489 0.81 KMT2A (0.37) HTTRAB9AALDH1A1KDM4EGAA
SCHEMBL4192595 0.80 MAPK9 (0.36) ILKHTTMAPK8MAPK9MAPK10

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 claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed