SCHEMBL5605301

SCHEMBL5605301

NC(=O)c1cc(-c2ccncc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.52
MMP13 P45452 2/20 0.52
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
CDK8 P49336 4/20 0.49
CCNC P24863 3/20 0.49
CHUK O15111 2/20 0.49
CDC7 O00311 5/20 0.46
DBF4 Q9UBU7 2/20 0.46
ALAD P13716 2/20 0.46
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
RET P07949 1/20 0.44
PIM1 P11309 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
SCHEMBL6142324 0.85 MMP12 (0.47) MMP12MMP13MMP3MMP9MMP8
SCHEMBL27624013 0.85 MMP12 (0.51) MMP12MMP13MMP3MMP9MMP8
SCHEMBL4381926 0.83 ALAD (0.66) MMP12MMP13MMP3MMP9MMP8
SCHEMBL5605556 0.83 HDAC6 (0.62) MMP12MMP13MMP3MMP9MMP8
SCHEMBL7127091 0.82 DYRK1B (0.58) CHEK1DYRK1ADYRK1B
SCHEMBL6143622 0.81 ALAD (0.69) MMP12MMP13MMP3MMP9MMP8
SCHEMBL24176394 0.80 ALAD (0.72) MMP12MMP13CHUKALADMAP4K4
SCHEMBL3196052 0.79 ALAD (0.56) MMP12MMP13ALADHDAC6
SCHEMBL6141881 0.77 MMP12 (0.48) MMP12ALADGSK3BAURKBTBK1
SCHEMBL8342325 0.77 ALAD (0.46) MMP12MMP13MMP3MMP9MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 EP claimed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN claimed
CN-100345847-C Novel biarylcarboxamides ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN disclosed