SCHEMBL6088944

SCHEMBL6088944

COc1ccc(OCC2=NNC(=O)C2=Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.48
PDGFRB P09619 3/20 0.48
KDR P35968 3/20 0.48
FLT3 P36888 3/20 0.48
AURKB Q96GD4 3/20 0.48
PRKD3 O94806 2/20 0.48
ABL1 P00519 2/20 0.48
RET P07949 2/20 0.48
LTK P29376 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CDK7 P50613 2/20 0.48
MAP2K1 Q02750 2/20 0.48
MST1R Q04912 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
ALK Q9UM73 2/20 0.48
MAP2K2 P36507 1/20 0.48
CDK8 P49336 1/20 0.48
DAPK3 O43293 1/20 0.46

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
SCHEMBL6088938 1.00 NTRK1 (0.48) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6088040 0.92 NTRK1 (0.46) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6088046 0.92 NTRK1 (0.46) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6088300 0.91 NTRK1 (0.49) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6088304 0.91 NTRK1 (0.49) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6090499 0.90 NTRK1 (0.46) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6090363 0.90 NTRK1 (0.46) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6090507 0.90 NTRK1 (0.46) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6090359 0.90 NTRK1 (0.46) NTRK1PDGFRBKDRFLT3AURKB
SCHEMBL6090008 0.88 NTRK1 (0.48) NTRK1PDGFRBKDRFLT3AURKB

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