SCHEMBL12460573

SCHEMBL12460573

C=C(NOCc1ccccc1CC#N)c1ccccc1NCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.41
KDR P35968 6/20 0.40
FLT1 P17948 5/20 0.40
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KIT P10721 3/20 0.37
ABL1 P00519 2/20 0.37
CSF1R P07333 2/20 0.37
PDGFRB P09619 2/20 0.37
FLT4 P35916 2/20 0.37
EGFR P00533 1/20 0.37
GSK3B P49841 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
PRKACA P17612 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCQ Q04759 1/20 0.36

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
SCHEMBL1715084 0.89 KDR (0.45) ADRA2CKDRFLT1ABCB1ALDH1A1
SCHEMBL12461049 0.88 KDM4E (0.43) ADRA2CKDRFLT1ABCB1ALDH1A1
SCHEMBL12461772 0.87 ADRA2C (0.42) ADRA2CKDRFLT1ABCB1ALDH1A1
SCHEMBL12461141 0.80 ADRA2C (0.48) ADRA2CKDRFLT1ALDH1A1KIT
SCHEMBL12461142 0.80 ADRA2C (0.42) ADRA2CKDRFLT1ALDH1A1KIT
SCHEMBL12461147 0.77 KDR (0.41) ADRA2CKDRFLT1ABCB1ALDH1A1
SCHEMBL1715401 0.77 KDR (0.47) ADRA2CKDRFLT1ABCB1ALDH1A1
SCHEMBL12461047 0.76 KDR (0.48) ADRA2CKDRFLT1KITABL1
SCHEMBL12461535 0.76 KDR (0.51) ADRA2CKDRFLT1ABCB1ALDH1A1
SCHEMBL1714888 0.76 KDR (0.48) ADRA2CKDRFLT1ABCB1ALDH1A1

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
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed