SCHEMBL8315524

SCHEMBL8315524

Clc1ccc(Nc2ncnc3cnc(N4CCCC4)nc23)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
ERBB2 P04626 2/20 0.58
MAPT P10636 1/20 0.58
BRAF P15056 17/20 0.53
KDR P35968 1/20 0.51
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL8316917 0.90 EGFR (0.71) EGFRERBB2MAPTBRAFHPGD
SCHEMBL8316098 0.90 ERBB2 (0.56) EGFRERBB2MAPTBRAFKDR
SCHEMBL6998251 0.89 EGFR (0.70) EGFRERBB2MAPTBRAFHPGD
SCHEMBL6990982 0.89 EGFR (0.70) EGFRERBB2MAPTBRAFHPGD
SCHEMBL8318461 0.89 EGFR (0.55) EGFRERBB2MAPTBRAFHPGD
SCHEMBL8318927 0.85 LMNA (0.54) EGFRERBB2MAPTBRAF
SCHEMBL8314285 0.82 BRAF (0.62) EGFRBRAF
SCHEMBL6994133 0.82 EGFR (0.64) EGFRERBB2MAPTBRAFHPGD
SCHEMBL7001526 0.82 EGFR (0.69) EGFRERBB2MAPTBRAFHPGD
SCHEMBL6989314 0.81 EGFR (0.70) EGFRERBB2MAPTBRAFHPGD

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-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
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