SCHEMBL8801513

SCHEMBL8801513

O=C1CCC(Nc2ncc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.62
ERBB2 P04626 4/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
BRAF P15056 4/20 0.44
CSNK2A1 P68400 2/20 0.44
MAPT P10636 1/20 0.43
BCL6 P41182 2/20 0.41
PAK1 Q13153 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
EPHA2 P29317 2/20 0.39
KDR P35968 2/20 0.39
EPHB4 P54760 2/20 0.39

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
SCHEMBL8316240 0.92 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL6996244 0.91 EGFR (0.75) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317093 0.87 EGFR (0.57) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315348 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315620 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318062 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315344 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313702 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8314200 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313697 0.87 EGFR (0.64) EGFRERBB2HPGDHTTBRAF

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-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