SCHEMBL6997067

SCHEMBL6997067

O=C(N1CCOCC1)N1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.59
ERBB2 P04626 8/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
ERBB4 Q15303 3/20 0.53
JAK3 P52333 1/20 0.53
BRAF P15056 9/20 0.52

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
SCHEMBL8488242 0.94 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317992 0.90 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL8482305 0.90 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994831 0.87 EGFR (0.61) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317856 0.86 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999566 0.85 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994326 0.85 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989118 0.85 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487864 0.84 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998708 0.84 EGFR (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
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