SCHEMBL6092240

SCHEMBL6092240

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C2CC2)c1CCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.55
CHEK1 O14757 2/20 0.55
HRH3 Q9Y5N1 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL6092233 1.00 KDR (0.55) KDRCHEK1HRH3PDGFRBFGFR1
SCHEMBL6088317 0.95 KDR (0.53) KDRCHEK1HRH3PDGFRBFGFR1
SCHEMBL6088328 0.95 KDR (0.53) KDRCHEK1HRH3PDGFRBFGFR1
SCHEMBL6091301 0.88 KDR (0.41) KDRCHEK1HRH3PDGFRBFGFR1
SCHEMBL6091306 0.88 KDR (0.41) KDRCHEK1HRH3PDGFRBFGFR1
SCHEMBL6088243 0.86 KDR (0.38) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088252 0.86 KDR (0.38) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088776 0.86 KDR (0.56) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088798 0.86 KDR (0.56) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089046 0.86 KDR (0.38) 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