SCHEMBL8798588

SCHEMBL8798588

Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
BRAF P15056 3/20 0.52
CSNK2A1 P68400 1/20 0.51

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
SCHEMBL8317332 0.89 EGFR (1.00) EGFR
SCHEMBL8321437 0.89 EGFR (0.80) EGFRBRAFCSNK2A1
SCHEMBL8318038 0.87 EGFR (0.77) EGFRBRAFCSNK2A1
SCHEMBL8316766 0.85 EGFR (0.74) EGFRBRAFCSNK2A1
SCHEMBL7578986 0.85 EGFR (0.73) EGFRBRAF
SCHEMBL8318613 0.84 EGFR (0.73) EGFRBRAF
SCHEMBL8320030 0.83 EGFR (0.71) EGFRBRAF
SCHEMBL8317938 0.82 EGFR (0.73) EGFR
SCHEMBL8317682 0.82 EGFR (0.70) EGFRBRAF
SCHEMBL8320643 0.81 EGFR (0.72) 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-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