SCHEMBL7001920

SCHEMBL7001920

O=C([C@H]1CC[C@H](Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1)N1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.72
ERBB2 P04626 6/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
CSNK2A1 P68400 1/20 0.55
MAPT P10636 1/20 0.50
BRAF P15056 2/20 0.46
ERBB4 Q15303 2/20 0.45
JAK3 P52333 1/20 0.45
JUN P05412 1/20 0.44
MAPK10 P53779 1/20 0.44
SYK P43405 2/20 0.44
BCL6 P41182 1/20 0.43

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
SCHEMBL7001919 1.00 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6998610 0.94 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994175 0.93 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8489965 0.93 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994172 0.93 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999396 0.93 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7000762 0.93 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318921 0.93 EGFR (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318924 0.93 EGFR (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6995000 0.92 EGFR (0.70) 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 6 patents. 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 claimed
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 claimed
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 claimed
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-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
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US disclosed