SCHEMBL14905752

SCHEMBL14905752

CN(C)CC(=O)N[C@H]1CC[C@H](Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.73
PRKACA P17612 12/20 0.73
GSK3B P49841 11/20 0.73
DYRK1A Q13627 11/20 0.73
CDK2 P24941 11/20 0.73
HIPK2 Q9H2X6 11/20 0.73
ROCK2 O75116 11/20 0.73
CLK2 P49760 10/20 0.73
CDK5 Q00535 10/20 0.73
CLK4 Q9HAZ1 10/20 0.73
STK17A Q9UEE5 10/20 0.73
MAP4K4 O95819 10/20 0.73
PIM1 P11309 10/20 0.73
DAPK3 O43293 9/20 0.73
CDK9 P50750 9/20 0.73
PRKX P51817 9/20 0.73
MINK1 Q8N4C8 9/20 0.73
MAP4K5 Q9Y4K4 9/20 0.73
PKN2 Q16513 8/20 0.73
PAK4 O96013 8/20 0.73

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
SCHEMBL14905755 0.92 CDC7 (0.75) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1049066 0.89 CDC7 (0.73) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1041849 0.89 CDC7 (0.68) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL6127714 0.88 CDC7 (0.60) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1045476 0.88 CDC7 (0.74) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL15189973 0.86 CDC7 (0.76) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1049823 0.86 CDC7 (0.72) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1049821 0.86 CDC7 (0.72) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1051218 0.86 CDC7 (0.64) CDC7PRKACAGSK3BDYRK1ACDK2
SCHEMBL1050206 0.86 CDC7 (0.74) CDC7PRKACAGSK3BDYRK1ACDK2

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