SCHEMBL6091067

SCHEMBL6091067

Cc1[nH]c(C=C2C(=O)NN=C2c2ccco2)c(C)c1CN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.41
CHEK1 O14757 3/20 0.41
FGFR1 P11362 3/20 0.39
PDGFRB P09619 2/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AURKA O14965 2/20 0.34
RET P07949 2/20 0.34

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
SCHEMBL6091062 1.00 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091540 0.99 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091544 0.99 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6093552 0.92 KDR (0.48) KDRCHEK1FGFR1PDGFRBKDM4E
SCHEMBL6093559 0.92 KDR (0.48) KDRCHEK1FGFR1PDGFRBKDM4E
SCHEMBL6100216 0.88 KDR (0.34) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6100221 0.88 KDR (0.34) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6089550 0.85 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6089545 0.85 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091302 0.84 KDR (0.48) KDRCHEK1FGFR1PDGFRBAURKA

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