SCHEMBL8315348

SCHEMBL8315348

OC1CCC(Nc2ncc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.64
ERBB2 P04626 3/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
BRAF P15056 2/20 0.55
CSNK2A1 P68400 2/20 0.47
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 1/20 0.42
BCL6 P41182 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
MAPK3 P27361 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL8315620 1.00 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315344 1.00 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316240 0.95 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997208 0.91 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997215 0.91 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316770 0.91 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313697 0.90 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313702 0.90 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315965 0.89 EGFR (0.57) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315973 0.89 EGFR (0.57) 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 4 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-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