SCHEMBL6090633

SCHEMBL6090633

O=C1NN=C(c2cccnc2)C1=Cc1cc2c([nH]1)CCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.45
PKN2 Q16513 2/20 0.42
PKN1 Q16512 1/20 0.42
PDGFRB P09619 3/20 0.38
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 0.38
ALK Q9UM73 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP1A2 P05177 1/20 0.37
JAK3 P52333 3/20 0.37
JAK2 O60674 1/20 0.37
NPY5R Q15761 3/20 0.35
CYP19A1 P11511 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL6088285 0.88 KDR (0.46) KDRPKN2PKN1PDGFRBFGFR1
SCHEMBL6088365 0.87 KDR (0.47) KDRPKN2PKN1PDGFRBFGFR1
SCHEMBL6088609 0.85 KDR (0.61) KDRPKN2PDGFRBFGFR1SRC
SCHEMBL6088604 0.85 KDR (0.61) KDRPKN2PDGFRBFGFR1SRC
SCHEMBL6090570 0.82 KDR (0.43) KDRPKN2PKN1PDGFRBFGFR1
SCHEMBL6090793 0.82 KDR (0.46) KDRPKN2PKN1PDGFRBFGFR1
SCHEMBL6089757 0.80 KDR (0.42) KDRPKN2PKN1PDGFRBFGFR1
SCHEMBL6089006 0.79 KDR (0.41) KDRPKN2PDGFRBFGFR1SRC
SCHEMBL6089010 0.79 KDR (0.41) KDRPKN2PDGFRBFGFR1SRC
SCHEMBL6091313 0.78 KDR (0.50) KDRPKN2PKN1PDGFRBFGFR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed