SCHEMBL8316724

SCHEMBL8316724

Cc1cccc(Nc2ncnc3cnc(N4CCc5ccccc5C4)nc23)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.57
SCN9A Q15858 4/20 0.50
KCNH2 Q12809 1/20 0.50
SCN5A Q14524 1/20 0.50
BRAF P15056 6/20 0.47
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL8317469 0.95 EGFR (0.60) EGFRBRAFHTTHIF1A
SCHEMBL8314587 0.85 EGFR (0.60) EGFRBRAF
SCHEMBL8313771 0.85 EGFR (0.65) EGFRBRAFHTT
SCHEMBL8320421 0.85 EGFR (0.65) EGFRBRAFHTT
SCHEMBL8314169 0.84 EGFR (0.64) EGFRBRAFHTT
SCHEMBL8319361 0.83 EGFR (0.60) EGFRBRAFHTTHIF1A
SCHEMBL8317654 0.82 EGFR (0.61) EGFRBRAFHTTHIF1A
SCHEMBL8317028 0.82 EGFR (0.61) EGFRBRAF
SCHEMBL8319713 0.82 EGFR (0.66) EGFRBRAF
SCHEMBL8317375 0.80 EGFR (0.62) EGFRBRAF

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-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed