SCHEMBL5315796

SCHEMBL5315796

C=CC(=O)NCc1cccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.51
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
WDR5 P61964 1/20 0.44
BTK Q06187 3/20 0.43
SCN2A Q99250 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
EGFR P00533 1/20 0.43
HDAC1 Q13547 2/20 0.41
S1PR4 O95977 1/20 0.41
CTSA P10619 1/20 0.40
ITK Q08881 1/20 0.40
KDM1A O60341 1/20 0.39
PTGER4 P35408 3/20 0.39
AURKA O14965 1/20 0.39
PLCG1 P19174 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL14495087 0.92 CHRNA7 (0.51) CHRNA7WDR5SCN2ASCN10AHDAC1
SCHEMBL5314889 0.91 CHRNA7 (0.57) CHRNA7PDGFRAKDRSCN2ASCN10A
SCHEMBL14494779 0.88 CHRNA7 (0.53) CHRNA7WDR5SCN2ASCN10AHDAC1
SCHEMBL5313234 0.84 CHRNA7 (0.49) CHRNA7PDGFRAKDRWDR5BTK
SCHEMBL5317038 0.83 BTK (0.57) CHRNA7PDGFRAKDRBTKITK
SCHEMBL5315413 0.82 CHRNA7 (0.57) CHRNA7SCN2ASCN10AHDAC1S1PR4
SCHEMBL5312257 0.80 CHRNA7 (0.61) CHRNA7PDGFRAKDRBTKSCN2A
SCHEMBL14494780 0.78 CHRNA7 (0.59) CHRNA7SCN2ASCN10AHDAC1S1PR4
SCHEMBL5312509 0.78 CHRNA7 (0.53) CHRNA7SCN2ASCN10AS1PR4CTSA
SCHEMBL14494777 0.78 CHRNA7 (0.55) CHRNA7BTKSCN2ASCN10AS1PR4

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