SCHEMBL6090443

SCHEMBL6090443

O=C1NN=C(CCc2ccc(O)cc2)C1=Cc1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.45
KDR P35968 6/20 0.45
PDGFRB P09619 4/20 0.45
FLT1 P17948 3/20 0.45
PDGFRA P16234 2/20 0.45
JAK3 P52333 4/20 0.45
RET P07949 4/20 0.45
NTRK1 P04629 4/20 0.45
AURKB Q96GD4 3/20 0.45
CHEK1 O14757 3/20 0.45
ALK Q9UM73 3/20 0.45
DAPK3 O43293 2/20 0.45
MAP4K4 O95819 2/20 0.45
LCK P06239 2/20 0.45
CSF1R P07333 2/20 0.45
FGFR1 P11362 2/20 0.45
LTK P29376 2/20 0.45
RPS6KA3 P51812 2/20 0.45
MAP2K1 Q02750 2/20 0.45
MST1R Q04912 2/20 0.45

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
SCHEMBL6091447 0.89 PDPK1 (0.47) PDPK1KDRPDGFRBFLT1PDGFRA
SCHEMBL6089527 0.88 PDGFRB (0.45) PDPK1KDRPDGFRBFLT1JAK3
SCHEMBL6091278 0.88 PDPK1 (0.45) PDPK1KDRPDGFRBFLT1PDGFRA
SCHEMBL6091275 0.88 PDPK1 (0.45) PDPK1KDRPDGFRBFLT1PDGFRA
SCHEMBL6088060 0.88 PDPK1 (0.45) PDPK1KDRPDGFRBFLT1JAK3
SCHEMBL6091697 0.85 TLK2 (0.48) PDPK1KDRPDGFRBFLT1JAK3
SCHEMBL6089068 0.84 PDGFRB (0.49) PDPK1KDRPDGFRBFLT1JAK3
SCHEMBL6087985 0.81 NTRK1 (0.45) PDPK1KDRPDGFRBFLT1JAK3
SCHEMBL6087983 0.81 NTRK1 (0.45) PDPK1KDRPDGFRBFLT1JAK3
SCHEMBL6088506 0.81 PDPK1 (0.46) PDPK1KDRPDGFRBFLT1PDGFRA

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