SCHEMBL5317038

SCHEMBL5317038

C=CC(=O)Nc1cccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.57
ITK Q08881 6/20 0.57
CHRNA7 P36544 1/20 0.54
PLCG1 P19174 7/20 0.54
JAK3 P52333 1/20 0.48
IRAK1 P51617 1/20 0.46
EPHB4 P54760 1/20 0.45
MAP2K7 O14733 1/20 0.45
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5312257 0.90 CHRNA7 (0.61) BTKITKCHRNA7PLCG1IRAK1
SCHEMBL14494777 0.88 CHRNA7 (0.55) BTKITKCHRNA7PLCG1
SCHEMBL14495029 0.84 CHRNA7 (0.52) BTKITKCHRNA7PLCG1JAK3
SCHEMBL5315796 0.83 CHRNA7 (0.51) BTKITKCHRNA7PLCG1EPHB4
SCHEMBL14494779 0.81 CHRNA7 (0.53) CHRNA7EPHB4
SCHEMBL5314889 0.80 CHRNA7 (0.57) CHRNA7EPHB4PDGFRAKDR
SCHEMBL5315210 0.79 CHRNA7 (0.61) BTKCHRNA7
SCHEMBL14495087 0.79 CHRNA7 (0.51) CHRNA7
SCHEMBL14494780 0.77 CHRNA7 (0.59) CHRNA7EPHB4
SCHEMBL5372937 0.77 CHRNA7 (0.58) BTKCHRNA7EPHB4PDGFRAKDR

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