SCHEMBL3260799

SCHEMBL3260799

CN1CCn2nc(Nc3cc(N4CCC[C@@H](NC(=O)c5cc6ccccc6s5)C4)nc4ccnn34)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.47
FGR P09769 1/20 0.46
SRC P12931 1/20 0.46
TEC P42680 1/20 0.46
BMX P51813 1/20 0.46
DPP4 P27487 9/20 0.41
CHRNA7 P36544 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 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
SCHEMBL3263368 0.89 DPP4 (0.40) BTKFGRSRCTECBMX
SCHEMBL3263367 0.89 DPP4 (0.40) BTKFGRSRCTECBMX
SCHEMBL3268115 0.87 BTK (0.45) BTKDPP4CHRNA7HTR3EHTR3B
SCHEMBL3268106 0.87 BTK (0.45) BTKDPP4CHRNA7HTR3EHTR3B
SCHEMBL3263477 0.85 LCK (0.45) BTKDPP4
SCHEMBL3262494 0.84 BTK (0.46) BTKDPP4CHRNA7HTR3A
SCHEMBL3265213 0.84 DPP4 (0.42) BTKDPP4
SCHEMBL3263178 0.84 BTK (0.45) BTKDPP4
SCHEMBL2491729 0.83 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL13303602 0.76 DPP4 (0.48) DPP4

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-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed