SCHEMBL8799689

SCHEMBL8799689

Cc1cccc(Nc2ncnc3cnc(N4CCCC(O)C4)nc23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.55
▸ BRAF P15056 15/20 0.49

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
SCHEMBL8316302 0.89 EGFR (0.59) EGFRBRAF
SCHEMBL8316527 0.88 EGFR (0.52) EGFRBRAF
SCHEMBL8320421 0.87 EGFR (0.65) EGFRBRAF
SCHEMBL8313771 0.87 EGFR (0.65) EGFRBRAF
SCHEMBL8314169 0.86 EGFR (0.64) EGFRBRAF
SCHEMBL8316825 0.83 ALDH1A1 (0.51) EGFRBRAF
SCHEMBL8317375 0.83 EGFR (0.62) EGFRBRAF
SCHEMBL8316977 0.82 EGFR (0.56) EGFRBRAF
SCHEMBL8314278 0.82 EGFR (0.61) EGFR
SCHEMBL8315976 0.81 EGFR (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 — — EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 — — WO disclosed
Send feedback