SCHEMBL6999566

SCHEMBL6999566

O=C(N1CCOCC1)N1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.72
ERBB2 P04626 9/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
CSNK2A1 P68400 1/20 0.51
ERBB4 Q15303 4/20 0.50
JAK3 P52333 1/20 0.50
BRAF P15056 1/20 0.50
MAPT P10636 1/20 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
SCHEMBL7000242 0.96 EGFR (0.67) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994172 0.91 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994175 0.91 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8485697 0.91 EGFR (0.68) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999193 0.89 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8483681 0.88 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7092722 0.87 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8313711 0.87 EGFR (0.63) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8313712 0.87 EGFR (0.63) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6991387 0.87 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1

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