SCHEMBL14905780

SCHEMBL14905780

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.66
GSK3B P49841 10/20 0.66
DYRK1A Q13627 11/20 0.55
PRKACA P17612 11/20 0.55
ROCK2 O75116 10/20 0.55
HIPK2 Q9H2X6 10/20 0.55
CLK4 Q9HAZ1 10/20 0.55
STK17A Q9UEE5 9/20 0.55
CDK2 P24941 9/20 0.55
CLK2 P49760 9/20 0.55
CDK5 Q00535 9/20 0.55
DAPK3 O43293 9/20 0.55
PRKX P51817 9/20 0.55
MINK1 Q8N4C8 9/20 0.55
MAP4K5 Q9Y4K4 9/20 0.55
CDK8 P49336 9/20 0.55
CDK9 P50750 8/20 0.55
PKN2 Q16513 8/20 0.55
PIM1 P11309 8/20 0.55
PAK4 O96013 8/20 0.55

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
SCHEMBL14905753 0.92 CDC7 (0.64) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL1044355 0.91 CDC7 (0.70) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL1050755 0.89 CDC7 (0.67) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL14713215 0.87 CDC7 (0.47) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL14713214 0.87 CDC7 (0.47) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL15190083 0.87 CDC7 (0.64) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL1045476 0.87 CDC7 (0.74) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL1044362 0.86 CDC7 (0.70) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL14905752 0.86 CDC7 (0.73) CDC7GSK3BDYRK1APRKACAROCK2
SCHEMBL1049821 0.85 CDC7 (0.72) CDC7GSK3BDYRK1APRKACAROCK2

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