SCHEMBL5315263

SCHEMBL5315263

Cc1cccc(C)c1NC(=O)c1cncc(-c2ccc(N)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.69
SCN10A Q9Y5Y9 5/20 0.54
KCNH2 Q12809 1/20 0.51
CCNC P24863 3/20 0.50
CDK8 P49336 3/20 0.50
SCN2A Q99250 1/20 0.49
HDAC1 Q13547 1/20 0.47
S1PR4 O95977 1/20 0.47
CTSA P10619 1/20 0.46
XDH P47989 2/20 0.45

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
SCHEMBL5315210 0.89 CHRNA7 (0.61) CHRNA7SCN10AKCNH2CCNCCDK8
SCHEMBL14573319 0.88 CHRNA7 (0.70) CHRNA7SCN10AKCNH2CCNCCDK8
SCHEMBL5313064 0.88 CHRNA7 (0.66) CHRNA7SCN10AKCNH2CCNCCDK8
SCHEMBL5312650 0.83 CHRNA7 (0.60) CHRNA7SCN10AKCNH2CCNCCDK8
SCHEMBL5312257 0.81 CHRNA7 (0.61) CHRNA7SCN10AKCNH2CCNCCDK8
SCHEMBL5315413 0.81 CHRNA7 (0.57) CHRNA7SCN10ACDK8SCN2AHDAC1
SCHEMBL14494780 0.79 CHRNA7 (0.59) CHRNA7SCN10AKCNH2CCNCCDK8
Ameltolide SCHEMBL635392 0.79 S1PR4 (0.56) HDAC1S1PR4
SCHEMBL5372937 0.79 CHRNA7 (0.58) CHRNA7SCN10AKCNH2CCNCCDK8
SCHEMBL5314889 0.78 CHRNA7 (0.57) CHRNA7SCN10ACCNCCDK8SCN2A

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
WO-2007062459-A1 SELECTIVE KINASE INHIBITORS BASED ON PYRIDINE SCAFFOLD CYTOPIA RESEARCH PTY LTD (AU) 2007-06-07 WO disclosed
WO-2007062459-A1 SELECTIVE KINASE INHIBITORS BASED ON PYRIDINE SCAFFOLD CYTOPIA RESEARCH PTY LTD (AU) 2007-06-07 WO disclosed