SCHEMBL6090993

SCHEMBL6090993

CCN(CC)CCc1c(C)[nH]c(C=C2C(=O)NN=C2OC(C)C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.58
CHEK1 O14757 3/20 0.58
PRKAA1 Q13131 10/20 0.35
PDGFRB P09619 8/20 0.35
FGFR1 P11362 7/20 0.35
RET P07949 3/20 0.35
FLT3 P36888 3/20 0.35
STK3 Q13188 3/20 0.35
AURKB Q96GD4 3/20 0.35
AURKA O14965 2/20 0.35
FLT1 P17948 2/20 0.35
MAP4K2 Q12851 2/20 0.35
RPS6KA5 O75582 2/20 0.35
RPS6KA4 O75676 2/20 0.35
MAP2K2 P36507 2/20 0.35
MAP2K1 Q02750 2/20 0.35
PLK4 O00444 2/20 0.35
PDPK1 O15530 2/20 0.35
DAPK3 O43293 2/20 0.35
ROCK2 O75116 2/20 0.35

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
SCHEMBL6088633 0.89 KDR (0.46) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6088630 0.89 KDR (0.46) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6091811 0.87 KDR (0.62) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6089734 0.86 CHEK1 (0.48) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6089728 0.86 CHEK1 (0.48) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6089109 0.84 CHEK1 (0.46) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6089106 0.84 CHEK1 (0.46) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6088640 0.80 CHEK1 (0.46) KDRCHEK1PRKAA1PDGFRBFGFR1
SCHEMBL6090985 0.79 CHEK1 (0.37) KDRCHEK1PDGFRBFGFR1RET
SCHEMBL6089074 0.78 KDR (0.59) KDRCHEK1PRKAA1PDGFRBFGFR1

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