SCHEMBL13987019

SCHEMBL13987019

Nc1ccncc1NC(=O)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.50
▸ HDAC1 Q13547 9/20 0.44
▸ HDAC2 Q92769 8/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ HDAC3 O15379 5/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ ITK Q08881 1/20 0.37

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
SCHEMBL13987014 0.83 GSK3B (0.50) GSK3BHDAC1HDAC2GSK3ADYRK1A
SCHEMBL2944943 0.82 HDAC1 (0.47) GSK3BHDAC1HDAC2GSK3ADYRK1A
SCHEMBL1750449 0.80 GSK3B (0.61) GSK3BHDAC1HDAC2GSK3ADYRK1A
SCHEMBL4856612 0.78 GSK3B (0.49) GSK3BCYP3A4CYP2C9
SCHEMBL13987016 0.78 MAPT (0.47) GSK3BGSK3ADYRK1ACYP2C9
SCHEMBL14375208 0.76 GSK3B (0.47) GSK3BHDAC1HDAC2GSK3ADYRK1A
SCHEMBL11246270 0.76 CASP1 (0.54) GSK3BGSK3ADYRK1AIKBKE
SCHEMBL4848429 0.75 GSK3B (0.67) GSK3BHDAC1HDAC2HDAC3HDAC8
SCHEMBL4854637 0.74 GSK3B (0.55) GSK3BHDAC1HDAC2GSK3ADYRK1A
SCHEMBL2950654 0.74 GSK3B (0.53) GSK3BHDAC1HDAC2GSK3ADYRK1A

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
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
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