SCHEMBL6090727

SCHEMBL6090727

CC(C)OC1=NNC(=O)C1=Cc1ccc(C(=O)O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
KMT2A Q03164 1/20 0.33
TLK2 Q86UE8 2/20 0.33
XDH P47989 2/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6090722 1.00 LRRK2 (0.34) LRRK2KMT2ATLK2XDHHSP90AA1
SCHEMBL6090960 0.85 KDR (0.38) LRRK2KMT2A
SCHEMBL6091255 0.82 PDPK1 (0.40) LRRK2KMT2ATLK2
SCHEMBL6091251 0.82 PDPK1 (0.40) LRRK2KMT2ATLK2
SCHEMBL6088219 0.81 LRRK2 (0.34) LRRK2TLK2
SCHEMBL6088217 0.81 LRRK2 (0.34) LRRK2TLK2
SCHEMBL6091028 0.80 KDR (0.40) LRRK2KMT2ATLK2
SCHEMBL6090528 0.79 PDPK1 (0.43) LRRK2KMT2ATLK2
SCHEMBL6090524 0.79 PDPK1 (0.43) LRRK2KMT2ATLK2
SCHEMBL6091757 0.78 ALDH1A1 (0.33) LRRK2TLK2

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