SCHEMBL6090985

SCHEMBL6090985

CCN(CC)C(C)c1c(C)[nH]c(/C=C2/C(=O)NN=C2OC(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.37
KDR P35968 1/20 0.36
ABL1 P00519 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT3 P36888 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL6091810 0.89 CHEK1 (0.38) CHEK1KDRABL1RETPDGFRB
SCHEMBL6089734 0.81 CHEK1 (0.48) CHEK1KDRABL1RETPDGFRB
SCHEMBL6089728 0.81 CHEK1 (0.48) CHEK1KDRABL1RETPDGFRB
SCHEMBL6088633 0.80 KDR (0.46) CHEK1KDRABL1RETPDGFRB
SCHEMBL6088630 0.80 KDR (0.46) CHEK1KDRABL1RETPDGFRB
SCHEMBL6089071 0.80 CHEK1 (0.36) CHEK1KDR
SCHEMBL6089106 0.79 CHEK1 (0.46) CHEK1KDRRETPDGFRBFGFR1
SCHEMBL6089109 0.79 CHEK1 (0.46) CHEK1KDRRETPDGFRBFGFR1
SCHEMBL6089341 0.78 KDR (0.46) CHEK1KDRABL1RETPDGFRB
SCHEMBL6089250 0.77 KDR (0.45) CHEK1KDR

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