SCHEMBL6091317

SCHEMBL6091317

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c(C2CC2)c1CCCCN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.37
PDGFRB P09619 3/20 0.37
FGFR1 P11362 3/20 0.37
CHEK1 O14757 2/20 0.36
LCK P06239 2/20 0.31
FYN P06241 2/20 0.31
YES1 P07947 2/20 0.31
SRC P12931 2/20 0.31

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
SCHEMBL6091325 1.00 KDR (0.37) KDRPDGFRBFGFR1CHEK1LCK
SCHEMBL6089472 0.95 KDR (0.37) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089460 0.95 KDR (0.37) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089939 0.88 KDR (0.37) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089923 0.88 KDR (0.37) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088447 0.86 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088459 0.86 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090944 0.86 KDR (0.39) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090935 0.86 KDR (0.39) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088315 0.85 KDR (0.37) 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