SCHEMBL9430554

SCHEMBL9430554

FC(F)(F)c1cccc(CNc2ncnc3ccccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.69
APP P05067 3/20 0.67
NR2F2 P24468 3/20 0.66
GALR3 O60755 2/20 0.66
RAB9A P51151 1/20 0.66
CNR1 P21554 1/20 0.65
HTT P42858 4/20 0.64
LMNA P02545 4/20 0.64
MAPK1 P28482 3/20 0.64
TSHR P16473 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ABCG2 Q9UNQ0 1/20 0.63
AURKA O14965 4/20 0.62
RPS6KB1 P23443 4/20 0.62
PDE5A O76074 1/20 0.55
CDK2 P24941 2/20 0.54
MAPK8 P45983 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
CDK7 P50613 1/20 0.54

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
SCHEMBL6833289 0.82 EGFR (1.00) EGFRAPPCNR1LMNAAURKA
SCHEMBL29386010 0.80 EGFR (1.00) EGFRAPPNR2F2GALR3RAB9A
SCHEMBL7612718 0.80 EGFR (1.00) EGFRAPPNR2F2GALR3RAB9A
SCHEMBL27990386 0.80 EGFR (0.71) EGFRAPPNR2F2GALR3RAB9A
SCHEMBL8886913 0.80 EGFR (0.72) EGFRAPPNR2F2GALR3RAB9A
SCHEMBL5113671 0.80 APP (0.74) EGFRAPPHTTLMNATSHR
SCHEMBL17557541 0.79 CNR1 (1.00) CNR1
SCHEMBL13191861 0.79 EGFR (0.58) EGFRAPPNR2F2GALR3RAB9A
SCHEMBL21567457 0.79 PDE4A (0.67) EGFRAPPCNR1LMNAMAPK1
SCHEMBL4866870 0.79 APP (0.73) EGFRAPPAURKACDK2CCNE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296484-A Applying fungicide to locus of plant pathogen DOWELANCO (US) 1994-03-22 US disclosed
CN-1034924-A quinoline, quinazoline and cinnoline derivatives LILLY CO ELI (US) 1989-08-23 CN disclosed
EP-0326328-A2 Quinoline, quinazoline, and cinnoline derivatives DowElanco (US) 1989-08-02 EP disclosed