SCHEMBL5315413

SCHEMBL5315413

Cc1cccc(C)c1NC(=O)c1cncc(-c2cccc(CN)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.57
CFD P00746 6/20 0.47
F11 P03951 1/20 0.47
TPSB2 P20231 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
S1PR4 O95977 1/20 0.46
CTSA P10619 1/20 0.45
SCN10A Q9Y5Y9 4/20 0.43
PTGER4 P35408 3/20 0.43
SCN2A Q99250 2/20 0.43
HDAC1 Q13547 1/20 0.43
CDK8 P49336 1/20 0.42

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
SCHEMBL5313064 0.91 CHRNA7 (0.66) CHRNA7S1PR4CTSASCN10ASCN2A
SCHEMBL5312509 0.87 CHRNA7 (0.53) CHRNA7S1PR4CTSASCN10APTGER4
SCHEMBL5315210 0.84 CHRNA7 (0.61) CHRNA7S1PR4CTSASCN10ASCN2A
SCHEMBL14494779 0.84 CHRNA7 (0.53) CHRNA7S1PR4CTSASCN10APTGER4
SCHEMBL5315796 0.82 CHRNA7 (0.51) CHRNA7S1PR4CTSASCN10APTGER4
SCHEMBL14495087 0.82 CHRNA7 (0.51) CHRNA7S1PR4CTSASCN10APTGER4
SCHEMBL5315263 0.81 CHRNA7 (0.69) CHRNA7S1PR4CTSASCN10ASCN2A
SCHEMBL5313067 0.81 CHRNA7 (0.54) CHRNA7S1PR4CTSASCN10ASCN2A
SCHEMBL5313234 0.80 CHRNA7 (0.49) CHRNA7S1PR4CTSASCN10APTGER4
SCHEMBL14573319 0.79 CHRNA7 (0.70) CHRNA7S1PR4CTSASCN10ASCN2A

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