SCHEMBL8312903

SCHEMBL8312903

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.57
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
BRAF P15056 1/20 0.51
EGFR P00533 13/20 0.46
ERBB2 P04626 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
FLT3 P36888 1/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
GAS6 Q14393 1/20 0.46
AURKA O14965 1/20 0.42
RPS6KB1 P23443 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
SCHEMBL8317955 0.90 CSNK2A1 (0.62) CSNK2A1CSNK2A2CSNK2BBRAFEGFR
SCHEMBL8798721 0.89 CSNK2A1 (0.60) CSNK2A1CSNK2A2CSNK2BBRAFEGFR
SCHEMBL8317108 0.89 EGFR (0.59) BRAFEGFRERBB2HPGDHTT
SCHEMBL8317113 0.89 EGFR (0.59) BRAFEGFRERBB2HPGDHTT
SCHEMBL8316791 0.88 EGFR (0.60) BRAFEGFRERBB2HPGDHTT
SCHEMBL8316794 0.88 EGFR (0.60) BRAFEGFRERBB2HPGDHTT
SCHEMBL8317568 0.88 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BBRAFEGFR
SCHEMBL8317572 0.88 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BBRAFEGFR
SCHEMBL8315953 0.88 CSNK2A1 (0.58) CSNK2A1CSNK2A2CSNK2BBRAFEGFR
SCHEMBL8319176 0.88 CSNK2A1 (0.53) CSNK2A1CSNK2A2CSNK2BBRAFEGFR

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