SCHEMBL5233270

SCHEMBL5233270

O=C(NCc1ccc(Cl)cc1)Oc1cc(-c2ccnc(NCCN3CCOCC3)n2)n[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 3/20 0.47
▸ CXCR4 P61073 1/20 0.43
▸ FLT3 P36888 3/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ SYK P43405 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ MRGPRX1 Q96LB2 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ AURKB Q96GD4 2/20 0.39

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
SCHEMBL4855719 0.87 EIF2AK2 (0.49) EIF2AK2CXCR4FLT3MKNK1BACE1
SCHEMBL5234145 0.83 DYRK1A (0.44) LMNASYKBRAFAURKB
Trifluoroacetic Acid SCHEMBL5658623 0.83 EIF2AK2 (0.45) EIF2AK2CXCR4FLT3MKNK1BACE1
SCHEMBL5237798 0.81 AKT3 (0.44) SYKRAF1BRAFAURKB
SCHEMBL4857088 0.74 GSK3B (0.53) FLT3KDR
SCHEMBL10323187 0.73 EIF2AK2 (0.53) EIF2AK2CXCR4FLT3MKNK1BACE1
SCHEMBL5243212 0.71 GSK3B (0.45) LMNA
SCHEMBL5235357 0.71 GSK3B (0.66) EIF2AK2FLT3HDAC1SYKKDR
SCHEMBL5234548 0.71 MAPT (0.49) LMNA
SCHEMBL4856852 0.70 GSK3B (0.66) FLT3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 — — EP claimed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 — — EP claimed
Send feedback