SCHEMBL8318921

SCHEMBL8318921

O=C(C1CCC(Nc2ncc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3n2)CC1)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.60
ERBB2 P04626 3/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
MAPK10 P53779 3/20 0.46
JUN P05412 1/20 0.46
SYK P43405 5/20 0.46
BRAF P15056 2/20 0.45
CSNK2A1 P68400 1/20 0.45
PAK1 Q13153 1/20 0.45
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL8318924 1.00 EGFR (0.60) EGFRERBB2HPGDHTTMAPK10
SCHEMBL7001920 0.93 EGFR (0.72) EGFRERBB2HPGDHTTMAPK10
SCHEMBL7001919 0.93 EGFR (0.72) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8314682 0.93 EGFR (0.57) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8314679 0.93 EGFR (0.57) EGFRERBB2HPGDHTTMAPK10
SCHEMBL6987987 0.90 EGFR (0.53) EGFRERBB2HPGDHTTMAPK10
SCHEMBL6987985 0.90 EGFR (0.53) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8318408 0.89 EGFR (0.55) EGFRERBB2HPGDHTTMAPK10
SCHEMBL14040852 0.89 EGFR (0.53) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8318405 0.89 EGFR (0.55) EGFRERBB2HPGDHTTMAPK10

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