SCHEMBL8315282

SCHEMBL8315282

O=C([C@H]1CC[C@H](Nc2ncc3ncnc(Nc4cccc(Br)c4)c3n2)CC1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.60
ERBB2 P04626 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL8315278 1.00 EGFR (0.60) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8317946 0.93 EGFR (0.56) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8317943 0.93 EGFR (0.56) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8457936 0.90 EGFR (0.53) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8314526 0.90 EGFR (0.60) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8457941 0.90 EGFR (0.53) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8314519 0.90 EGFR (0.60) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8318556 0.89 CSNK2A1 (0.54) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8315560 0.88 EGFR (0.46) EGFRERBB2HPGDHTTCCNE1
SCHEMBL8315561 0.88 EGFR (0.46) EGFRERBB2HPGDHTTCCNE1

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 1 patent. 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