SCHEMBL6089923

SCHEMBL6089923

Cc1[nH]c(/C=C2/C(=O)NN=C2c2cncnc2)c(C2CC2)c1CCCCN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.37
CHEK1 O14757 2/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
HRH4 Q9H3N8 4/20 0.31
HRH3 Q9Y5N1 4/20 0.31
HRH1 P35367 2/20 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
SCHEMBL6089939 1.00 KDR (0.37) KDRCHEK1PDGFRBFGFR1HRH4
SCHEMBL6089238 0.95 KDR (0.38) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089245 0.95 KDR (0.38) KDRCHEK1PDGFRBFGFR1
SCHEMBL6091325 0.88 KDR (0.37) KDRCHEK1PDGFRBFGFR1
SCHEMBL6091317 0.88 KDR (0.37) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088328 0.86 KDR (0.53) KDRCHEK1PDGFRBFGFR1HRH3
SCHEMBL6088317 0.86 KDR (0.53) KDRCHEK1PDGFRBFGFR1HRH3
SCHEMBL7496935 0.85 KDR (0.39) KDRCHEK1PDGFRBFGFR1
SCHEMBL7496953 0.85 KDR (0.39) KDRCHEK1PDGFRBFGFR1
SCHEMBL6090935 0.85 KDR (0.39) KDRCHEK1PDGFRBFGFR1

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