SCHEMBL6092121

SCHEMBL6092121

COc1ccc(NC(=O)CC2=NNC(=O)C2=Cc2ccc[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.62
AURKB Q96GD4 6/20 0.62
PDGFRB P09619 3/20 0.62
KDR P35968 5/20 0.56
FLT4 P35916 5/20 0.56
KIT P10721 4/20 0.56
TLK2 Q86UE8 3/20 0.46
AURKA O14965 1/20 0.46
PDGFRA P16234 1/20 0.46
AURKC Q9UQB9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDPK1 O15530 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6092116 1.00 FLT3 (0.62) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6089073 0.87 FLT3 (0.54) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6089079 0.87 FLT3 (0.54) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6089903 0.80 ALDH1A1 (0.48) FLT3AURKBPDGFRBKDRPDGFRA
SCHEMBL6090945 0.80 TLK2 (0.49) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6089091 0.80 TLK2 (0.49) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6089094 0.80 TLK2 (0.49) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6090940 0.80 TLK2 (0.49) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6091697 0.79 TLK2 (0.48) FLT3AURKBPDGFRBKDRFLT4
SCHEMBL6090785 0.78 FLT3 (0.50) FLT3AURKBPDGFRBKDRFLT4

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