SCHEMBL6090867

SCHEMBL6090867

O=C1NN=C(c2ncc[nH]2)/C1=C\c1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.45
JAK3 P52333 6/20 0.45
KDR P35968 5/20 0.45
PDGFRB P09619 5/20 0.45
RET P07949 4/20 0.45
FLT3 P36888 3/20 0.45
FLT1 P17948 2/20 0.45
ALK Q9UM73 2/20 0.45
TLK2 Q86UE8 2/20 0.45
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45

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
SCHEMBL6090871 1.00 PDPK1 (0.45) PDPK1JAK3KDRPDGFRBRET
SCHEMBL6092360 0.81 PDPK1 (0.50) PDPK1JAK3KDRPDGFRBRET
SCHEMBL6092365 0.81 PDPK1 (0.50) PDPK1JAK3KDRPDGFRBRET
SCHEMBL6092135 0.81 KDR (0.32) KDRTLK2
SCHEMBL6092139 0.81 KDR (0.32) KDRTLK2
SCHEMBL6088905 0.79 SIRT1 (0.44) KDRPDGFRBTLK2FGFR1MAPT
SCHEMBL6088902 0.79 SIRT1 (0.44) KDRPDGFRBTLK2FGFR1MAPT
SCHEMBL6090165 0.78 KDR (0.55) PDPK1JAK3KDRPDGFRBRET
SCHEMBL6090173 0.78 KDR (0.55) PDPK1JAK3KDRPDGFRBRET
SCHEMBL6088004 0.78 MAP4K1 (0.33) KDR

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