SCHEMBL14905754

SCHEMBL14905754

COc1cnc2[nH]cc(-c3cc(Cl)nc(NC4CCCC(NC(=O)CN(C)C)C4)c3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.56
PRKACA P17612 7/20 0.56
DYRK1A Q13627 7/20 0.56
GSK3B P49841 6/20 0.56
CLK2 P49760 6/20 0.56
CDK5 Q00535 6/20 0.56
DAPK3 O43293 6/20 0.56
PRKX P51817 6/20 0.56
PKN2 Q16513 6/20 0.56
MINK1 Q8N4C8 6/20 0.56
HIPK2 Q9H2X6 6/20 0.56
MAP4K5 Q9Y4K4 6/20 0.56
CLK4 Q9HAZ1 6/20 0.56
MAP4K4 O95819 5/20 0.56
CDK2 P24941 5/20 0.56
CDK9 P50750 5/20 0.56
STK17A Q9UEE5 5/20 0.56
CSNK1A1 P48729 5/20 0.56
PAK4 O96013 5/20 0.56
MAP4K2 Q12851 5/20 0.56

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
SCHEMBL1043726 0.89 CDC7 (0.53) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1049881 0.89 CDC7 (0.46) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL14905755 0.86 CDC7 (0.75) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL935975 0.83 CDC7 (0.60) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1048482 0.83 CDC7 (0.49) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1048481 0.83 CDC7 (0.49) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1045567 0.82 CDC7 (0.48) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1049062 0.82 CDC7 (0.53) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1050185 0.82 CDC7 (0.53) CDC7PRKACADYRK1AGSK3BCLK2
SCHEMBL1046429 0.81 CDC7 (0.67) CDC7PRKACADYRK1AGSK3BCLK2

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-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP claimed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US claimed
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed