SCHEMBL12201513

SCHEMBL12201513

CC1Oc2cc3ncnc(Cl)c3cc2O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
EGFR P00533 8/20 0.38
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
ALDH1A1 P00352 1/20 0.30
DYRK1A Q13627 1/20 0.30
AXL P30530 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL12201961 0.79 EGFR (0.33) EGFR
SCHEMBL6795808 0.79 EGFR (0.60) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL367950 0.75 PDE5A (0.48) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL1012990 0.75 EGFR (0.52) EGFR
SCHEMBL31004058 0.75 EGFR (0.52) EGFR
SCHEMBL29589537 0.75 PDE5A (0.48) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL12201954 0.75 KMT2A (0.37) EGFRAXL
Hydrochloric Acid SCHEMBL8808443 0.74 PDE5A (0.47) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL6795035 0.72 EGFR (0.43) ENPP1EGFR
SCHEMBL362314 0.71 EGFR (0.55) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023926-B1 PYRIDONECARBOXAMIDE DERIVATIVES USEFUL IN TREATING HYPER-PROLIFERATIVE AND ANGIOGENESIS DISORDERS Bayer Pharma AG (DE) 2011-10-12 EP disclosed
WO-2008048375-A1 PYRIDONECARBOXAMIDE DERIVATIVES USEFUL IN TREATING HYPER-PROLIFERATIVE AND ANGIOGENESIS DISORDERS BAYER HEALTHCARE AG (DE) 2008-04-24 WO disclosed