SCHEMBL6090944

SCHEMBL6090944

Cc1[nH]c(C=C2C(=O)NN=C2c2ncccn2)c(C2CC2)c1CCCCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
CHEK1 O14757 2/20 0.37

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
SCHEMBL6090935 1.00 KDR (0.39) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088252 0.95 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088243 0.95 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090114 0.93 KDR (0.37) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090101 0.93 KDR (0.37) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089034 0.87 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089046 0.87 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088710 0.87 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088328 0.87 KDR (0.53) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088317 0.87 KDR (0.53) KDRPDGFRBFGFR1CHEK1

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