SCHEMBL6092663

SCHEMBL6092663

Cc1[nH]c(C=C2C(=O)NN=C2CCc2ccccc2)c(C)c1C(=O)NCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.56
PRKAA1 Q13131 15/20 0.54
PRKAA2 P54646 13/20 0.54
PDGFRB P09619 7/20 0.54
FGFR1 P11362 5/20 0.54
EGFR P00533 4/20 0.49
PDGFRA P16234 2/20 0.49
PLK4 O00444 2/20 0.45
DCLK1 O15075 2/20 0.45
PDPK1 O15530 2/20 0.45
DAPK3 O43293 2/20 0.45
ROCK2 O75116 2/20 0.45
RPS6KA5 O75582 2/20 0.45
RPS6KA4 O75676 2/20 0.45
MAP4K4 O95819 2/20 0.45
CHEK2 O96017 2/20 0.45
NTRK1 P04629 2/20 0.45
INSR P06213 2/20 0.45
LCK P06239 2/20 0.45
FYN P06241 2/20 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
SCHEMBL6092657 1.00 KDR (0.56) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6091561 0.92 KDR (0.56) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6091575 0.92 KDR (0.56) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6090814 0.91 KDR (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6092165 0.84 FGFR1 (0.48) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6092170 0.84 FGFR1 (0.48) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6090182 0.80 KDR (0.56) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6090169 0.80 KDR (0.56) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6089736 0.79 KDR (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL6089730 0.79 KDR (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1

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