SCHEMBL6087553

SCHEMBL6087553

Cc1[nH]c(C=C2C(=O)NN=C2c2ccco2)c(C2CC2)c1CCCCN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.38
PDGFRB P09619 2/20 0.38
FGFR1 P11362 2/20 0.38
CHEK1 O14757 2/20 0.34
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30
SRC P12931 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
SCHEMBL6087548 1.00 KDR (0.38) KDRPDGFRBFGFR1CHEK1KCNH2
SCHEMBL6089280 0.95 KDR (0.36) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089274 0.95 KDR (0.36) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090887 0.86 KDR (0.36) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090879 0.86 KDR (0.36) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089062 0.85 KDR (0.38) KDRPDGFRBFGFR1CHEK1KCNH2
SCHEMBL6089052 0.85 KDR (0.38) KDRPDGFRBFGFR1CHEK1KCNH2
SCHEMBL6088719 0.85 KDR (0.38) KDRPDGFRBFGFR1CHEK1LCK
SCHEMBL6088710 0.85 KDR (0.38) KDRPDGFRBFGFR1CHEK1LCK
SCHEMBL6090944 0.85 KDR (0.39) 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