SCHEMBL14905755

SCHEMBL14905755

CN(C)CC(=O)NC1CCCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.75
PRKACA P17612 13/20 0.75
HIPK2 Q9H2X6 12/20 0.75
GSK3B P49841 11/20 0.75
DYRK1A Q13627 11/20 0.75
CDK2 P24941 11/20 0.75
CLK4 Q9HAZ1 11/20 0.75
MAP4K4 O95819 10/20 0.75
PIM1 P11309 10/20 0.75
CLK2 P49760 9/20 0.75
CDK5 Q00535 9/20 0.75
DAPK3 O43293 9/20 0.75
PRKX P51817 9/20 0.75
PKN2 Q16513 9/20 0.75
MINK1 Q8N4C8 9/20 0.75
MAP4K5 Q9Y4K4 9/20 0.75
STK17A Q9UEE5 9/20 0.75
CDK9 P50750 9/20 0.75
CSNK1A1 P48729 8/20 0.75
PAK4 O96013 8/20 0.75

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
SCHEMBL14905752 0.92 CDC7 (0.73) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL1042930 0.88 CDC7 (0.73) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL935975 0.88 CDC7 (0.60) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL1041679 0.88 CDC7 (0.63) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL15190090 0.87 CDC7 (0.78) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL1042822 0.87 CDC7 (0.65) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL1042707 0.87 CDC7 (0.75) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL1044277 0.87 CDC7 (0.64) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL14905753 0.87 CDC7 (0.64) CDC7PRKACAHIPK2GSK3BDYRK1A
SCHEMBL1042559 0.87 CDC7 (0.67) CDC7PRKACAHIPK2GSK3BDYRK1A

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