SCHEMBL8319990

SCHEMBL8319990

Cc1cccc(Nc2ncnc3cnc(N4CCCCC4CO)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.54
▸ CDK1 P06493 4/20 0.51
▸ BRAF P15056 5/20 0.49
▸ PRKCA P17252 1/20 0.47
▸ KHK P50053 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
SCHEMBL8319518 0.88 EGFR (0.60) EGFRBRAFKHK
SCHEMBL8314278 0.85 EGFR (0.61) EGFRKHK
SCHEMBL8317473 0.84 EGFR (0.56) EGFRCDK1BRAFPRKCA
SCHEMBL8316977 0.83 EGFR (0.56) EGFRBRAFKHK
SCHEMBL8320109 0.83 EGFR (0.53) EGFRBRAF
SCHEMBL8320421 0.82 EGFR (0.65) EGFRBRAF
SCHEMBL8316527 0.82 EGFR (0.52) EGFRBRAFKHK
SCHEMBL8319810 0.82 EGFR (0.57) EGFRBRAF
SCHEMBL8314169 0.81 EGFR (0.64) EGFRBRAF
SCHEMBL8313771 0.80 EGFR (0.65) 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
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