SCHEMBL6089079

SCHEMBL6089079

O=C(CC1=NNC(=O)C1=Cc1ccc[nH]1)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.54
KDR P35968 8/20 0.54
KIT P10721 6/20 0.54
FLT4 P35916 6/20 0.54
AURKB Q96GD4 6/20 0.49
PDGFRB P09619 6/20 0.48
PDGFRA P16234 2/20 0.48
AURKA O14965 1/20 0.48
AURKC Q9UQB9 1/20 0.48
TLK2 Q86UE8 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
FLT1 P17948 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL6089073 1.00 FLT3 (0.54) FLT3KDRKITFLT4AURKB
SCHEMBL6092121 0.87 FLT3 (0.62) FLT3KDRKITFLT4AURKB
SCHEMBL6092116 0.87 FLT3 (0.62) FLT3KDRKITFLT4AURKB
SCHEMBL6089642 0.79 NTRK1 (0.45) FLT3KDRAURKBPDGFRBPDGFRA
SCHEMBL6089647 0.79 NTRK1 (0.45) FLT3KDRAURKBPDGFRBPDGFRA
SCHEMBL6088501 0.78 PDGFRB (0.46) FLT3KDRKITFLT4AURKB
SCHEMBL6088497 0.78 PDGFRB (0.46) FLT3KDRKITFLT4AURKB
SCHEMBL6089527 0.78 PDGFRB (0.45) FLT3KDRKITFLT4AURKB
SCHEMBL6087631 0.76 PDGFRB (0.49) FLT3KDRKITFLT4AURKB
SCHEMBL6087629 0.76 PDGFRB (0.49) FLT3KDRKITFLT4AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed