SCHEMBL6089614

SCHEMBL6089614

O=C1NN=C(COc2cccc(Cl)c2)C1=Cc1ccc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.44
NTRK1 P04629 3/20 0.43
PDPK1 O15530 6/20 0.38
KDR P35968 5/20 0.38
TLK2 Q86UE8 4/20 0.38
JAK3 P52333 3/20 0.38
RET P07949 2/20 0.38
FLT3 P36888 2/20 0.38
FLT1 P17948 2/20 0.38
AURKB Q96GD4 2/20 0.38
SYK P43405 1/20 0.38
ATM Q13315 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 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
SCHEMBL6089607 1.00 PDGFRB (0.44) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6087951 0.88 PDGFRB (0.44) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6087953 0.88 PDGFRB (0.44) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6089293 0.86 KDR (0.45) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6089297 0.86 KDR (0.45) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6089091 0.81 TLK2 (0.49) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6089094 0.81 TLK2 (0.49) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6090220 0.81 PDPK1 (0.44) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6090214 0.81 PDPK1 (0.44) PDGFRBNTRK1PDPK1KDRTLK2
SCHEMBL6090527 0.80 NTRK1 (0.42) PDGFRBNTRK1PDPK1KDRTLK2

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