SCHEMBL4957874

SCHEMBL4957874

O=C(NCCc1ccc[nH]c1=O)c1ccnc2[nH]c(-c3cccs3)nc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 11/20 0.51
GSK3B P49841 5/20 0.46
ERCC1 P07992 4/20 0.44
FEN1 P39748 4/20 0.44
ERCC4 Q92889 4/20 0.44
DNASE1 P24855 1/20 0.43

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
SCHEMBL4157850 0.86 PBK (0.51) PBKGSK3BERCC1FEN1ERCC4
SCHEMBL4959665 0.85 GSK3B (0.48) PBKGSK3B
SCHEMBL4958910 0.85 GSK3B (0.45) PBKGSK3B
SCHEMBL4157191 0.84 GSK3B (0.51) PBKGSK3BERCC1FEN1ERCC4
SCHEMBL4161593 0.83 PBK (0.48) PBKGSK3B
SCHEMBL4166755 0.83 GSK3B (0.56) PBKGSK3BERCC1FEN1ERCC4
SCHEMBL4961799 0.83 GSK3B (0.42) GSK3B
SCHEMBL4958340 0.82 GSK3B (0.55) PBKGSK3B
SCHEMBL4145737 0.81 PBK (0.51) PBKGSK3B
SCHEMBL8240596 0.81 PBK (0.76) PBKGSK3BERCC1FEN1ERCC4

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
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed