SCHEMBL6089627

SCHEMBL6089627

Cc1cc(C)c(/C=C2/C(=O)NN=C2OC(C)C)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.55
RET P07949 9/20 0.46
FLT3 P36888 3/20 0.46
ALK Q9UM73 3/20 0.46
PDGFRB P09619 3/20 0.46
CSF1R P07333 2/20 0.46
FGFR1 P11362 2/20 0.46
SRC P12931 2/20 0.46
FLT1 P17948 2/20 0.46
FGFR3 P22607 2/20 0.46
MAPK1 P28482 2/20 0.46
FLT4 P35916 2/20 0.46
PDPK1 O15530 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
ABL1 P00519 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 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
SCHEMBL6089634 1.00 KDR (0.55) KDRRETFLT3ALKPDGFRB
SCHEMBL6091530 0.79 LRRK2 (0.36) KDRTLK2
SCHEMBL7496764 0.79 PDPK1 (0.41) KDRPDPK1TLK2
SCHEMBL6091525 0.79 LRRK2 (0.36) KDRTLK2
SCHEMBL6091255 0.77 PDPK1 (0.40) KDRMAPK1PDPK1NPC1MAPT
SCHEMBL6091251 0.77 PDPK1 (0.40) KDRMAPK1PDPK1NPC1MAPT
SCHEMBL6090222 0.74 KDR (0.37) KDRMAPTNPSR1CYP1A2CYP3A4
SCHEMBL6090224 0.74 KDR (0.37) KDRMAPTNPSR1CYP1A2CYP3A4
SCHEMBL6089018 0.74 PDPK1 (0.41) PDPK1TLK2
SCHEMBL6089020 0.74 PDPK1 (0.41) PDPK1TLK2

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