SCHEMBL6089470

SCHEMBL6089470

COc1cccc(CC2=NNC(=O)C2=Cc2ccc[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 3/20 0.49
PDPK1 O15530 2/20 0.49
NTRK1 P04629 2/20 0.42
FLT3 P36888 5/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
AURKB Q96GD4 3/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 2/20 0.40
KIT P10721 1/20 0.39
FLT4 P35916 1/20 0.39
KAT8 Q9H7Z6 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL6089463 1.00 TLK2 (0.49) TLK2PDPK1NTRK1FLT3MAOA
SCHEMBL6090940 0.88 TLK2 (0.49) TLK2PDPK1NTRK1FLT3MAOA
SCHEMBL6090945 0.88 TLK2 (0.49) TLK2PDPK1NTRK1FLT3MAOA
SCHEMBL6091220 0.85 TLK2 (0.50) TLK2PDPK1NTRK1FLT3AURKB
SCHEMBL6091218 0.85 TLK2 (0.50) TLK2PDPK1NTRK1FLT3AURKB
SCHEMBL6091243 0.82 KAT8 (0.52) TLK2PDPK1NTRK1FLT3AURKB
SCHEMBL6091248 0.82 KAT8 (0.52) TLK2PDPK1NTRK1FLT3AURKB
SCHEMBL6091697 0.80 TLK2 (0.48) TLK2PDPK1NTRK1FLT3MAOA
SCHEMBL6090294 0.79 PDPK1 (0.46) TLK2PDPK1NTRK1FLT3AURKB
SCHEMBL6090287 0.79 PDPK1 (0.46) TLK2PDPK1NTRK1FLT3AURKB

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