SCHEMBL8317367

SCHEMBL8317367

COCC(C)C1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.70
ERBB2 P04626 2/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
BRAF P15056 7/20 0.46
FBP1 P09467 1/20 0.44

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
SCHEMBL6996816 0.86 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317370 0.85 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995165 0.84 EGFR (0.76) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990205 0.83 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989673 0.83 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993371 0.83 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317479 0.83 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994263 0.83 EGFR (0.79) EGFRERBB2MAPTHPGDHTT
SCHEMBL2394914 0.83 EGFR (1.00) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991298 0.82 EGFR (0.79) EGFRERBB2MAPTHPGDHTT

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-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed