SCHEMBL5312669

SCHEMBL5312669

CC(=O)NC1CCN(C(=O)c2ccnc(Nc3nc4ccc(N(C)c5ccc(C)cc5)nc4s3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCK P08631 4/20 0.38
BTK Q06187 4/20 0.38
PROKR1 Q8TCW9 6/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SCN9A Q15858 1/20 0.37
SYK P43405 6/20 0.36
ADORA2B P29275 1/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL5334096 1.00 HCK (0.38) HCKBTKPROKR1IRAK4SCN9A
SCHEMBL5312665 1.00 HCK (0.38) HCKBTKPROKR1IRAK4SCN9A
SCHEMBL14530643 0.91 HCK (0.39) HCKBTKPROKR1SYKITK
SCHEMBL14531392 0.89 PROKR1 (0.40) HCKBTKPROKR1IRAK4SYK
SCHEMBL5310631 0.89 PROKR1 (0.40) HCKBTKPROKR1SYK
SCHEMBL5312309 0.89 PROKR1 (0.39) HCKBTKPROKR1SYK
SCHEMBL5314910 0.89 PROKR1 (0.39) HCKBTKPROKR1SYK
SCHEMBL5311490 0.89 ITK (0.38) HCKBTKSYKITK
SCHEMBL5311494 0.89 ITK (0.38) HCKBTKSYKITK
SCHEMBL5312760 0.87 PROKR1 (0.37) HCKBTKPROKR1SYK

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed