SCHEMBL16199846

SCHEMBL16199846

C=Cc1ncnc2cc(C)c(OC(C)=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALOX12 P18054 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 5/20 0.35
ACHE P22303 2/20 0.35
PDE10A Q9Y233 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL8212200 0.79 ENPP1 (0.47) KDM4EALOX12SMN1; SMN2ALDH1A1GLA
SCHEMBL16199847 0.77 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1GLAGAA
SCHEMBL12569041 0.73 EGFR (0.46) KDM4EALOX12SMN1; SMN2ALDH1A1GLA
SCHEMBL13090425 0.72 SLC2A1 (0.50) KDM4EALOX12SMN1; SMN2ALDH1A1GLA
SCHEMBL13438277 0.69 EGFR (0.42) KDM4EALOX12SMN1; SMN2ALDH1A1GLA
SCHEMBL1999978 0.68 ENPP1 (0.54) KDM4EALOX12SMN1; SMN2ALDH1A1GLA
SCHEMBL15867097 0.68 ACHE (0.57) KDM4EALOX12SMN1; SMN2ALDH1A1GLA
SCHEMBL13059865 0.65 ENPP1 (0.47) KDM4EALOX12ALDH1A1MAPTHPGD
SCHEMBL217338 0.65 PDE10A (0.52) EGFRACHEPDE10ABACE1ENPP1
SCHEMBL6064319 0.65 ACHE (0.53) KDM4EALOX12SMN1; SMN2ALDH1A1GLA

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-2190287-B1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2014-10-29 EP disclosed