SCHEMBL8315560

SCHEMBL8315560

O=C(C1CCC(Nc2ncc3ncnc(Nc4cccc([N+](=O)[O-])c4)c3n2)CC1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.46
ERBB2 P04626 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MAPK10 P53779 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
SYK P43405 1/20 0.43
BTK Q06187 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
BRAF P15056 4/20 0.42
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
POLB P06746 1/20 0.42
SRC P12931 1/20 0.42
GSK3A P49840 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
SCHEMBL8315561 1.00 EGFR (0.46) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8318014 0.93 MAPK10 (0.47) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8318017 0.93 MAPK10 (0.47) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8317605 0.88 ABCG2 (0.50) EGFRERBB2HPGDHTTABCG2
SCHEMBL8315278 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8315282 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8314526 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8457936 0.88 EGFR (0.53) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8314519 0.88 EGFR (0.60) EGFRERBB2HPGDHTTMAPK10
SCHEMBL8457941 0.88 EGFR (0.53) 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