SCHEMBL8318397

SCHEMBL8318397

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

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 13/20 0.49
ERBB2 P04626 3/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
FLT3 P36888 1/20 0.48
TYRO3 Q06418 1/20 0.48
MERTK Q12866 1/20 0.48
GAS6 Q14393 1/20 0.48
CDK1 P06493 1/20 0.46
GAK O14976 2/20 0.44
FBP1 P09467 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RIPK2 O43353 1/20 0.43
BUB1 O43683 1/20 0.43
STK10 O94804 1/20 0.43
CARS1 P49589 1/20 0.43

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
SCHEMBL8798721 0.95 CSNK2A1 (0.60) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8314852 0.91 FLT3 (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8314226 0.91 FLT3 (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8318103 0.89 CSNK2A1 (0.62) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8319821 0.89 CSNK2A1 (0.53) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8317301 0.88 CSNK2A1 (0.53) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8317955 0.88 CSNK2A1 (0.62) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8319176 0.88 CSNK2A1 (0.53) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8314683 0.88 CSNK2A1 (0.55) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8316385 0.87 CSNK2A1 (0.55) CSNK2A1CSNK2A2CSNK2BEGFRERBB2

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