SCHEMBL6089557

SCHEMBL6089557

Cc1[nH]c(C=C2C(=O)NN=C2C2CC2)c(C2CC2)c1CCCCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
KDR P35968 4/20 0.38
PDGFRB P09619 3/20 0.38
FGFR1 P11362 3/20 0.38
HRH3 Q9Y5N1 4/20 0.32
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
SCHEMBL6089549 1.00 CHEK1 (0.39) CHEK1KDRPDGFRBFGFR1HRH3
SCHEMBL6090309 0.94 CHEK1 (0.40) CHEK1KDRPDGFRBFGFR1
SCHEMBL6090312 0.94 CHEK1 (0.40) CHEK1KDRPDGFRBFGFR1
SCHEMBL6099973 0.88 CHEK1 (0.36) CHEK1KDRPDGFRBFGFR1
SCHEMBL6099975 0.88 CHEK1 (0.36) CHEK1KDRPDGFRBFGFR1
SCHEMBL6091257 0.87 PDGFRB (0.36) CHEK1KDRPDGFRBFGFR1HRH3
SCHEMBL6091252 0.87 PDGFRB (0.36) CHEK1KDRPDGFRBFGFR1HRH3
SCHEMBL6088659 0.85 PDGFRB (0.39) CHEK1KDRPDGFRBFGFR1HRH3
SCHEMBL6088656 0.85 PDGFRB (0.39) CHEK1KDRPDGFRBFGFR1HRH3
SCHEMBL6090944 0.85 KDR (0.39) CHEK1KDRPDGFRBFGFR1

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