SCHEMBL8314852

SCHEMBL8314852

C#Cc1cccc(Nc2ncnc3cnc(N[C@H]4CC[C@@H](O)CC4)nc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.59
TYRO3 Q06418 2/20 0.59
MERTK Q12866 2/20 0.59
GAS6 Q14393 2/20 0.59
CSNK2A1 P68400 3/20 0.58
CSNK2A2 P19784 1/20 0.58
CSNK2B P67870 1/20 0.58
BRAF P15056 1/20 0.52
EGFR P00533 11/20 0.49
ERBB2 P04626 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
CDK1 P06493 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
GAK O14976 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FBP1 P09467 1/20 0.44

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
SCHEMBL8314226 1.00 FLT3 (0.59) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8798721 0.95 CSNK2A1 (0.60) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8318397 0.91 CSNK2A1 (0.56) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8317955 0.90 CSNK2A1 (0.62) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8319821 0.89 CSNK2A1 (0.53) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8318103 0.89 CSNK2A1 (0.62) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8315953 0.88 CSNK2A1 (0.58) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8319176 0.88 CSNK2A1 (0.53) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8317301 0.88 CSNK2A1 (0.53) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL8314683 0.88 CSNK2A1 (0.55) FLT3TYRO3MERTKGAS6CSNK2A1

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 3 patents. 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
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed