SCHEMBL6090557

SCHEMBL6090557

COC(=O)CCC1=NNC(=O)/C1=C/c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.43
PDGFRB P09619 4/20 0.42
FLT3 P36888 6/20 0.41
TLK2 Q86UE8 7/20 0.40
AURKB Q96GD4 2/20 0.40
KDR P35968 6/20 0.40
RET P07949 2/20 0.40
JAK3 P52333 2/20 0.40
SYK P43405 1/20 0.40
ATM Q13315 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL6090558 1.00 PDPK1 (0.43) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6088506 0.81 PDPK1 (0.46) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6088502 0.81 PDPK1 (0.46) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6090506 0.79 PDPK1 (0.42) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6090515 0.79 PDPK1 (0.42) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6091697 0.78 TLK2 (0.48) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6088662 0.77 NTRK1 (0.46) PDGFRBFLT3AURKBKDRRET
SCHEMBL6088666 0.77 NTRK1 (0.46) PDGFRBFLT3AURKBKDRRET
SCHEMBL6091447 0.77 PDPK1 (0.47) PDPK1PDGFRBFLT3TLK2AURKB
SCHEMBL6090443 0.76 PDPK1 (0.45) PDPK1PDGFRBFLT3TLK2AURKB

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