SCHEMBL6089341

SCHEMBL6089341

CCN(CC)C(C)c1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ncccn2)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.46
CHEK1 O14757 2/20 0.46
PDGFRB P09619 3/20 0.31
FGFR1 P11362 2/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
FLT3 P36888 1/20 0.31
ALK Q9UM73 1/20 0.31
GRK5 P34947 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
SCHEMBL6090063 0.84 KDR (0.45) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090365 0.84 KDR (0.66) KDRCHEK1
SCHEMBL6088780 0.84 KDR (0.49) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090277 0.84 KDR (0.47) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6092863 0.83 KDR (0.44) KDRCHEK1PDGFRB
SCHEMBL6089250 0.83 KDR (0.45) KDRCHEK1
SCHEMBL6092350 0.82 KDR (0.41) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6091304 0.82 KDR (0.40) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090868 0.82 KDR (0.41) KDRCHEK1PDGFRB
SCHEMBL6088519 0.81 KDR (0.43) KDRCHEK1

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