SCHEMBL8320282

SCHEMBL8320282

OC1CCC(Nc2ncc3ncnc(Nc4cccc(F)c4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.56
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
EGFR P00533 8/20 0.55
ERBB2 P04626 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CDK1 P06493 2/20 0.54
BRAF P15056 2/20 0.54
MAP4K4 O95819 1/20 0.50
FLT3 P36888 1/20 0.49
TYRO3 Q06418 1/20 0.49
MERTK Q12866 1/20 0.49
GAS6 Q14393 1/20 0.49
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAPK10 P53779 2/20 0.45

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
SCHEMBL8320277 1.00 CSNK2A1 (0.56) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8317928 0.95 EGFR (0.60) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8319108 0.88 EGFR (0.67) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319114 0.88 EGFR (0.67) EGFRERBB2HPGDHTTBRAF
SCHEMBL8460531 0.88 EGFR (0.58) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8316922 0.88 EGFR (0.58) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8317438 0.88 EGFR (0.66) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316918 0.88 EGFR (0.58) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8315969 0.88 EGFR (0.66) EGFRERBB2HPGDHTTBRAF
SCHEMBL8322339 0.88 EGFR (0.67) 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 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