SCHEMBL6088057

SCHEMBL6088057

Cc1ccc(C(C)C2=NNC(=O)/C2=C/c2ccc[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.45
RET P07949 3/20 0.45
ALOX5 P09917 1/20 0.44
KDR P35968 5/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FLT3 P36888 3/20 0.41
PDGFRB P09619 3/20 0.41
TLK2 Q86UE8 3/20 0.41
JAK3 P52333 2/20 0.41
AURKB Q96GD4 2/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL6091444 0.90 TLK2 (0.46) PDPK1RETKDRMAPTMAPK1
SCHEMBL6089523 0.89 PDGFRB (0.47) PDPK1RETKDRMAPTMAPK1
SCHEMBL6090438 0.89 KDR (0.44) PDPK1RETKDRMAPTMAPK1
SCHEMBL6091693 0.87 TLK2 (0.48) PDPK1RETKDRFLT3PDGFRB
SCHEMBL6089065 0.86 PDGFRB (0.49) PDPK1RETKDRMAPTMAPK1
SCHEMBL6089310 0.83 KAT8 (0.48) PDPK1RETKDRMAPTMAPK1
SCHEMBL6089305 0.83 KAT8 (0.48) PDPK1RETKDRMAPTMAPK1
SCHEMBL6092741 0.76 NTRK1 (0.47) RETKDRMAPTSMN1; SMN2FLT3
SCHEMBL6091915 0.76 PDPK1 (0.54) PDPK1RETKDRMAPTMAPK1
SCHEMBL6091912 0.76 PDPK1 (0.54) PDPK1RETKDRMAPTMAPK1

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