SCHEMBL8318014

SCHEMBL8318014

O=C(C1CCC(Nc2ncc3ncnc(Nc4cccc([N+](=O)[O-])c4)c3n2)CC1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.47
JUN P05412 1/20 0.47
EGFR P00533 4/20 0.46
ERBB2 P04626 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
BRAF P15056 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 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
SCHEMBL8318017 1.00 MAPK10 (0.47) MAPK10JUNEGFRERBB2HPGD
SCHEMBL8315561 0.93 EGFR (0.46) MAPK10JUNEGFRERBB2HPGD
SCHEMBL8315560 0.93 EGFR (0.46) MAPK10JUNEGFRERBB2HPGD
SCHEMBL8315275 0.89 ABCG2 (0.48) EGFRERBB2HPGDHTTABCG2
SCHEMBL8315283 0.89 ABCG2 (0.48) EGFRERBB2HPGDHTTABCG2
SCHEMBL8315091 0.89 ABCG2 (0.54) EGFRERBB2HPGDHTTABCG2
SCHEMBL8317946 0.87 EGFR (0.56) MAPK10JUNEGFRERBB2HPGD
SCHEMBL8315101 0.87 EGFR (0.57) MAPK10JUNEGFRERBB2HPGD
SCHEMBL8318408 0.87 EGFR (0.55) MAPK10JUNEGFRERBB2HPGD
SCHEMBL8315098 0.87 EGFR (0.57) MAPK10JUNEGFRERBB2HPGD

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