SCHEMBL6233199

SCHEMBL6233199

COc1ccc(NN2C(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 2/20 0.39
PIM1 P11309 1/20 0.37
AXL P30530 1/20 0.37
PTK2B Q14289 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAPK13 O15264 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
SCHEMBL6231910 0.90 PIM1 (0.44) CYP19A1CA1CA2CA9PIM1
SCHEMBL6233754 0.89 MAPK13 (0.40) CA1CA2CA9MAPK13MAPK12
SCHEMBL6232252 0.88 LMNA (0.42) CA1CA2CA9PIM1AXL
SCHEMBL6236235 0.88 KDM4E (0.39) CYP19A1CA1CA2CA9PIM1
SCHEMBL6231904 0.88 CA1 (0.41) CA1CA2CA9PIM1AXL
SCHEMBL6231125 0.86 PIM1 (0.47) CYP19A1CA1CA2CA9PIM1
SCHEMBL6233755 0.86 PIM1 (0.40) CA1CA2CA9PIM1AXL
SCHEMBL6239738 0.85 CA1 (0.50) CA1CA2PIM1AXLPTK2B
SCHEMBL6231824 0.82 TUBB4A (0.42) CA1CA2CA9PIM1CLK4
SCHEMBL6232338 0.75 CA1 (0.44) CA1CA2PIM1AXLPTK2B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0790996-B1 PYRIDAZINOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed